2-methyl-6-(1,3-thiazol-4-ylmethylcarbamoyl)pyridine-3-carboxylic acid

C12H11N3O3S — CID 63824354

IUPAC2-methyl-6-(1,3-thiazol-4-ylmethylcarbamoyl)pyridine-3-carboxylic acid
SMILESCc1nc(C(=O)NCc2cscn2)ccc1C(=O)O
InChIInChI=1S/C12H11N3O3S/c1-7-9(12(17)18)2-3-10(15-7)11(16)13-4-8-5-19-6-14-8/h2-3,5-6H,4H2,1H3,(H,13,16)(H,17,18)
InChIKeyDVCLGRSRXNKWHU-UHFFFAOYSA-N
MW277.31 g/mol
LogP1.47
Rot. Bonds4

About 2-methyl-6-(1,3-thiazol-4-ylmethylcarbamoyl)pyridine-3-carboxylic acid

2-methyl-6-(1,3-thiazol-4-ylmethylcarbamoyl)pyridine-3-carboxylic acid (PubChem CID 63824354) has the molecular formula C12H11N3O3S and a molecular weight of 277.31 g/mol. Its IUPAC name is 2-methyl-6-(1,3-thiazol-4-ylmethylcarbamoyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-6-(1,3-thiazol-4-ylmethylcarbamoyl)pyridine-3-carboxylic acid
PubChem CID63824354
Molecular FormulaC12H11N3O3S
Molecular Weight277.31 g/mol
Exact Mass277.05
IUPAC Name2-methyl-6-(1,3-thiazol-4-ylmethylcarbamoyl)pyridine-3-carboxylic acid
SMILESCc1nc(C(=O)NCc2cscn2)ccc1C(=O)O
InChIInChI=1S/C12H11N3O3S/c1-7-9(12(17)18)2-3-10(15-7)11(16)13-4-8-5-19-6-14-8/h2-3,5-6H,4H2,1H3,(H,13,16)(H,17,18)
InChIKeyDVCLGRSRXNKWHU-UHFFFAOYSA-N
XLogP1.47
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 ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-2-(1,3-thiazol-4-ylmethylamino)pyrimidine-5-carboxylic acid
CID 83181391
6-chloro-N-(1,3-thiazol-4-ylmethyl)pyridine-2-carboxamide
CID 62413892
2-methyl-6-[[2-(methylamino)-2-oxoethyl]carbamoyl]pyridine-3-carboxylic acid
CID 43452983
2-methyl-6-(thiophen-3-ylcarbamoyl)pyridine-3-carboxylic acid
CID 66353771
5-(ethylamino)-N-(1,3-thiazol-4-ylmethyl)pyridine-2-carboxamide
CID 113436186
6-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]pyridine-2-carboxamide
CID 110472168
2-methyl-6-[[3-(propan-2-ylamino)phenyl]methylcarbamoyl]pyridine-3-carboxylic acid
CID 154844292
2-methyl-6-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]pyridine-3-carboxylic acid
CID 64523559
2-[(1,3-thiazol-4-ylmethylcarbamoylamino)methyl]-1,3-thiazole-4-carboxylic acid
CID 66379989
2-iodo-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 49346233
2,5-dihydroxy-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 107723065
2-methoxy-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 49346216

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(1,3-thiazol-4-ylmethylcarbamoyl)pyridine-3-carboxylic acid?
The IUPAC name of 2-methyl-6-(1,3-thiazol-4-ylmethylcarbamoyl)pyridine-3-carboxylic acid (CID 63824354) is 2-methyl-6-(1,3-thiazol-4-ylmethylcarbamoyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-methyl-6-(1,3-thiazol-4-ylmethylcarbamoyl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-methyl-6-(1,3-thiazol-4-ylmethylcarbamoyl)pyridine-3-carboxylic acid is Cc1nc(C(=O)NCc2cscn2)ccc1C(=O)O.
What is the InChIKey of 2-methyl-6-(1,3-thiazol-4-ylmethylcarbamoyl)pyridine-3-carboxylic acid?
The InChIKey is DVCLGRSRXNKWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O3S/c1-7-9(12(17)18)2-3-10(15-7)11(16)13-4-8-5-19-6-14-8/h2-3,5-6H,4H2,1H3,(H,13,16)(H,17,18).
What are the key properties of 2-methyl-6-(1,3-thiazol-4-ylmethylcarbamoyl)pyridine-3-carboxylic acid?
2-methyl-6-(1,3-thiazol-4-ylmethylcarbamoyl)pyridine-3-carboxylic acid has a molecular weight of 277.31 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(1,3-thiazol-4-ylmethylcarbamoyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 63824354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).