5-[[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]methyl]pyridine-2-carboxylic acid

C12H12N4O3S — CID 81099689

IUPAC5-[[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]methyl]pyridine-2-carboxylic acid
SMILESCc1nc(N)sc1C(=O)NCc1ccc(C(=O)O)nc1
InChIInChI=1S/C12H12N4O3S/c1-6-9(20-12(13)16-6)10(17)15-5-7-2-3-8(11(18)19)14-4-7/h2-4H,5H2,1H3,(H2,13,16)(H,15,17)(H,18,19)
InChIKeyQTOZTMMIBRWOKR-UHFFFAOYSA-N
MW292.32 g/mol
LogP1.06
Rot. Bonds4

About 5-[[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]methyl]pyridine-2-carboxylic acid

5-[[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]methyl]pyridine-2-carboxylic acid (PubChem CID 81099689) has the molecular formula C12H12N4O3S and a molecular weight of 292.32 g/mol. Its IUPAC name is 5-[[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]methyl]pyridine-2-carboxylic acid
PubChem CID81099689
Molecular FormulaC12H12N4O3S
Molecular Weight292.32 g/mol
Exact Mass292.06
IUPAC Name5-[[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]methyl]pyridine-2-carboxylic acid
SMILESCc1nc(N)sc1C(=O)NCc1ccc(C(=O)O)nc1
InChIInChI=1S/C12H12N4O3S/c1-6-9(20-12(13)16-6)10(17)15-5-7-2-3-8(11(18)19)14-4-7/h2-4H,5H2,1H3,(H2,13,16)(H,15,17)(H,18,19)
InChIKeyQTOZTMMIBRWOKR-UHFFFAOYSA-N
XLogP1.06
TPSA118.20 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-[[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]methyl]pyridine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[[(2-amino-1,3-thiazole-4-carbonyl)amino]methyl]pyridine-2-carboxylic acid
CID 81100476
5-[[(6-methylpyridine-2-carbonyl)amino]methyl]pyridine-2-carboxylic acid
CID 81099042
5-[[(5-methylpyrazine-2-carbonyl)amino]methyl]pyridine-2-carboxylic acid
CID 81100153
5-[[(2-amino-2-ethylbutanoyl)amino]methyl]pyridine-2-carboxylic acid
CID 81099373
5-[[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]methyl]pyridine-2-carboxylic acid
CID 81099051
2-amino-4-methyl-N-[[3-(methylcarbamoyl)phenyl]methyl]-1,3-thiazole-5-carboxamide
CID 91766936
2-amino-N-[(4-fluoro-2-methylphenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 91971342
5-[[(5-chloro-2-methylbenzoyl)amino]methyl]pyridine-2-carboxylic acid
CID 82871594
2-amino-N-[2-(4-chlorophenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 55116242
5-[[(5-methyl-1,2-oxazole-4-carbonyl)amino]methyl]pyridine-2-carboxylic acid
CID 81098454
2-tert-butyl-N-[(6-methoxy-3-pyridinyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 48985394
5-[[[(2R)-2-aminopropanoyl]amino]methyl]pyridine-2-carboxylic acid
CID 81100486

Frequently Asked Questions

What is the IUPAC name of 5-[[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]methyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]methyl]pyridine-2-carboxylic acid (CID 81099689) is 5-[[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]methyl]pyridine-2-carboxylic acid is Cc1nc(N)sc1C(=O)NCc1ccc(C(=O)O)nc1.
What is the InChIKey of 5-[[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]methyl]pyridine-2-carboxylic acid?
The InChIKey is QTOZTMMIBRWOKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O3S/c1-6-9(20-12(13)16-6)10(17)15-5-7-2-3-8(11(18)19)14-4-7/h2-4H,5H2,1H3,(H2,13,16)(H,15,17)(H,18,19).
What are the key properties of 5-[[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]methyl]pyridine-2-carboxylic acid?
5-[[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]methyl]pyridine-2-carboxylic acid has a molecular weight of 292.32 g/mol, XLogP of 1.06, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 81099689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).