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JMJ : Summary
Code
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JMJ
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One-letter code
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X
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Molecule name
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N-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
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Systematic names
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Formula
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C8 H7 N3 O2 S2
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Formal charge
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0
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Molecular weight
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241.29 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
12.01 |
c2coc(C(Nc1nnc(SC)s1)=O)c2 |
SMILES
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CACTVS |
3.385 |
CSc1sc(NC(=O)c2occc2)nn1 |
SMILES
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OpenEye OEToolkits |
2.0.6 |
CSc1nnc(s1)NC(=O)c2ccco2 |
Canonical SMILES
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CACTVS |
3.385 |
CSc1sc(NC(=O)c2occc2)nn1 |
Canonical SMILES
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OpenEye OEToolkits |
2.0.6 |
CSc1nnc(s1)NC(=O)c2ccco2 |
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IUPAC InChI | InChI=1S/C8H7N3O2S2/c1-14-8-11-10-7(15-8)9-6(12)5-3-2-4-13-5/h2-4H,1H3,(H,9,10,12) |
IUPAC InChI key | OEGYSMUYNKDGCN-UHFFFAOYSA-N |
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wwPDB Information |
Atom count
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22 (15 without Hydrogen)
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Polymer type
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Bound ligand
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Type description
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NON-POLYMER
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Type code
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HETAIN
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Is modified
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No
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Standard parent
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Not Assigned
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Defined at
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2018-09-11
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Last modified at
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2018-10-05
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Status
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Released
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Obsoleted
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Not Assigned
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