6-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]pyridine-2-carboxylic acid

C12H11N3O3S — CID 63642384

IUPAC6-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]pyridine-2-carboxylic acid
SMILESCc1nc(CC(=O)Nc2cccc(C(=O)O)n2)cs1
InChIInChI=1S/C12H11N3O3S/c1-7-13-8(6-19-7)5-11(16)15-10-4-2-3-9(14-10)12(17)18/h2-4,6H,5H2,1H3,(H,17,18)(H,14,15,16)
InChIKeyJVYOGOAIVXRVQO-UHFFFAOYSA-N
MW277.31 g/mol
LogP1.73
Rot. Bonds4

About 6-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]pyridine-2-carboxylic acid

6-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]pyridine-2-carboxylic acid (PubChem CID 63642384) has the molecular formula C12H11N3O3S and a molecular weight of 277.31 g/mol. Its IUPAC name is 6-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]pyridine-2-carboxylic acid
PubChem CID63642384
Molecular FormulaC12H11N3O3S
Molecular Weight277.31 g/mol
Exact Mass277.05
IUPAC Name6-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]pyridine-2-carboxylic acid
SMILESCc1nc(CC(=O)Nc2cccc(C(=O)O)n2)cs1
InChIInChI=1S/C12H11N3O3S/c1-7-13-8(6-19-7)5-11(16)15-10-4-2-3-9(14-10)12(17)18/h2-4,6H,5H2,1H3,(H,17,18)(H,14,15,16)
InChIKeyJVYOGOAIVXRVQO-UHFFFAOYSA-N
XLogP1.73
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,6-difluorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 110463255
6-[[2-(2-methylphenyl)acetyl]amino]pyridine-2-carboxylic acid
CID 63641670
2-fluoro-6-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]benzoic acid
CID 43442748
N-(2-ethylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 9123420
6-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]pyridine-2-carboxylic acid
CID 103790264
2-(2-methyl-1,3-thiazol-4-yl)-N-(2-phenylphenyl)acetamide
CID 29454554
6-[4-[[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]methyl]piperidin-1-yl]pyridine-2-carboxylic acid
CID 131914678
N-[3-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]phenyl]butanamide
CID 87026123
2-methyl-4-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]-1H-pyrrole-3-carboxylic acid
CID 82880336
N-(4-aminophenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 110483632
N-(2-methoxyphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 29453114
N-(3-chloro-2-fluorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 31507606

Frequently Asked Questions

What is the IUPAC name of 6-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]pyridine-2-carboxylic acid?
The IUPAC name of 6-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]pyridine-2-carboxylic acid (CID 63642384) is 6-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]pyridine-2-carboxylic acid is Cc1nc(CC(=O)Nc2cccc(C(=O)O)n2)cs1.
What is the InChIKey of 6-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]pyridine-2-carboxylic acid?
The InChIKey is JVYOGOAIVXRVQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O3S/c1-7-13-8(6-19-7)5-11(16)15-10-4-2-3-9(14-10)12(17)18/h2-4,6H,5H2,1H3,(H,17,18)(H,14,15,16).
What are the key properties of 6-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]pyridine-2-carboxylic acid?
6-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]pyridine-2-carboxylic acid has a molecular weight of 277.31 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 63642384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).