5TZ

2-(2-azanyl-1,3-thiazol-4-yl)pyridine-4-carboxylic acid

Created:2015-12-02
Last modified:  2016-01-20

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Chemical Details

Formal Charge0
Atom Count22
Chiral Atom Count0
Bond Count23
Aromatic Bond Count11
2D diagram of 5TZ

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Chemical Component Summary

Name2-(2-azanyl-1,3-thiazol-4-yl)pyridine-4-carboxylic acid
Systematic Name (OpenEye OEToolkits)2-(2-azanyl-1,3-thiazol-4-yl)pyridine-4-carboxylic acid
FormulaC9 H7 N3 O2 S
Molecular Weight221.236
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385Nc1scc(n1)c2cc(ccn2)C(O)=O
SMILESOpenEye OEToolkits2.0.4c1cnc(cc1C(=O)O)c2csc(n2)N
Canonical SMILESCACTVS3.385 Nc1scc(n1)c2cc(ccn2)C(O)=O
Canonical SMILESOpenEye OEToolkits2.0.4 c1cnc(cc1C(=O)O)c2csc(n2)N
InChIInChI1.03 InChI=1S/C9H7N3O2S/c10-9-12-7(4-15-9)6-3-5(8(13)14)1-2-11-6/h1-4H,(H2,10,12)(H,13,14)
InChIKeyInChI1.03 FAOZNCYQMCTIBT-UHFFFAOYSA-N

Related Resource References

Resource NameReference
Pharos CHEMBL3774692
PubChem 96607511
ChEMBL CHEMBL3774692