2-[(5-methyl-2-pyridinyl)carbamoyl]-1,3-thiazole-4-carboxylic acid

C11H9N3O3S — CID 116696469

IUPAC2-[(5-methyl-2-pyridinyl)carbamoyl]-1,3-thiazole-4-carboxylic acid
SMILESCc1ccc(NC(=O)c2nc(C(=O)O)cs2)nc1
InChIInChI=1S/C11H9N3O3S/c1-6-2-3-8(12-4-6)14-9(15)10-13-7(5-18-10)11(16)17/h2-5H,1H3,(H,16,17)(H,12,14,15)
InChIKeyBLLOXCHPJCYKCT-UHFFFAOYSA-N
MW263.28 g/mol
LogP1.80
Rot. Bonds3

About 2-[(5-methyl-2-pyridinyl)carbamoyl]-1,3-thiazole-4-carboxylic acid

2-[(5-methyl-2-pyridinyl)carbamoyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 116696469) has the molecular formula C11H9N3O3S and a molecular weight of 263.28 g/mol. Its IUPAC name is 2-[(5-methyl-2-pyridinyl)carbamoyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[(5-methyl-2-pyridinyl)carbamoyl]-1,3-thiazole-4-carboxylic acid
PubChem CID116696469
Molecular FormulaC11H9N3O3S
Molecular Weight263.28 g/mol
Exact Mass263.04
IUPAC Name2-[(5-methyl-2-pyridinyl)carbamoyl]-1,3-thiazole-4-carboxylic acid
SMILESCc1ccc(NC(=O)c2nc(C(=O)O)cs2)nc1
InChIInChI=1S/C11H9N3O3S/c1-6-2-3-8(12-4-6)14-9(15)10-13-7(5-18-10)11(16)17/h2-5H,1H3,(H,16,17)(H,12,14,15)
InChIKeyBLLOXCHPJCYKCT-UHFFFAOYSA-N
XLogP1.80
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.28
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2,4-dimethylphenyl)carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116696476
2-(1-aminoethyl)-N-(5-methyl-2-pyridinyl)-1,3-thiazole-4-carboxamide
CID 66374004
2-(pyrimidin-2-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid
CID 116696597
2-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116696706
2-[1-(4-methylphenyl)ethylcarbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116696883
2-[(4-tert-butylphenyl)carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116696532
6-chloro-N-(5-methyl-2-pyridinyl)pyrazine-2-carboxamide
CID 103186850
2-[(4-methoxybenzoyl)amino]-N-(5-methyl-2-pyridinyl)-1,3-thiazole-4-carboxamide
CID 84550493
2-[(4-methyl-1,3-oxazol-2-yl)carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116697501
5-(methylamino)-N-(5-methyl-2-pyridinyl)-1,3,4-thiadiazole-2-carboxamide
CID 80618119
2-[(6-ethoxy-3-pyridinyl)carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116697306
6-hydrazinyl-N-(5-methyl-2-pyridinyl)pyridazine-3-carboxamide
CID 62235642

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-2-pyridinyl)carbamoyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[(5-methyl-2-pyridinyl)carbamoyl]-1,3-thiazole-4-carboxylic acid (CID 116696469) is 2-[(5-methyl-2-pyridinyl)carbamoyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[(5-methyl-2-pyridinyl)carbamoyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[(5-methyl-2-pyridinyl)carbamoyl]-1,3-thiazole-4-carboxylic acid is Cc1ccc(NC(=O)c2nc(C(=O)O)cs2)nc1.
What is the InChIKey of 2-[(5-methyl-2-pyridinyl)carbamoyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is BLLOXCHPJCYKCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O3S/c1-6-2-3-8(12-4-6)14-9(15)10-13-7(5-18-10)11(16)17/h2-5H,1H3,(H,16,17)(H,12,14,15).
What are the key properties of 2-[(5-methyl-2-pyridinyl)carbamoyl]-1,3-thiazole-4-carboxylic acid?
2-[(5-methyl-2-pyridinyl)carbamoyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 263.28 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-2-pyridinyl)carbamoyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 116696469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).