6V9

2-methyl-1,3-thiazole-5-carboxylic acid

Created:	2016-07-04
Last modified:	2024-09-27

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1 entries where 6V9 is found as a standalone ligand1 entries where 6V9 is covalently linked to polymer or other heterogen groups 3 entries where 6V9 is found in a polymer sequence

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Chemical Details
Formal Charge	0
Atom Count	14
Chiral Atom Count	0
Bond Count	14
Aromatic Bond Count	5

2D diagram of 6V9

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Chemical Component Summary
Name	2-methyl-1,3-thiazole-5-carboxylic acid
Systematic Name (OpenEye OEToolkits)	2-methyl-1,3-thiazole-5-carboxylic acid
Formula	C₅ H₅ N O₂ S
Molecular Weight	143.164
Type	PEPTIDE LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Cc1sc(cn1)C(O)=O
SMILES	OpenEye OEToolkits	2.0.5	Cc1ncc(s1)C(=O)O
Canonical SMILES	CACTVS	3.385	Cc1sc(cn1)C(O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.5	Cc1ncc(s1)C(=O)O
InChI	InChI	1.03	InChI=1S/C5H5NO2S/c1-3-6-2-4(9-3)5(7)8/h2H,1H3,(H,7,8)
InChIKey	InChI	1.03	QCXCIYPOMMIBHO-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	98845
ChEMBL	CHEMBL247134
CCDC/CSD	IYULUJ

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