2-[[(2-hydroxy-3-methoxybenzoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid

C13H12N2O5S — CID 66381219

IUPAC2-[[(2-hydroxy-3-methoxybenzoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
SMILESCOc1cccc(C(=O)NCc2nc(C(=O)O)cs2)c1O
InChIInChI=1S/C13H12N2O5S/c1-20-9-4-2-3-7(11(9)16)12(17)14-5-10-15-8(6-21-10)13(18)19/h2-4,6,16H,5H2,1H3,(H,14,17)(H,18,19)
InChIKeyDVXAJPKYZLLZEZ-UHFFFAOYSA-N
MW308.32 g/mol
LogP1.49
Rot. Bonds5

About 2-[[(2-hydroxy-3-methoxybenzoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid

2-[[(2-hydroxy-3-methoxybenzoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 66381219) has the molecular formula C13H12N2O5S and a molecular weight of 308.32 g/mol. Its IUPAC name is 2-[[(2-hydroxy-3-methoxybenzoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[[(2-hydroxy-3-methoxybenzoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
PubChem CID66381219
Molecular FormulaC13H12N2O5S
Molecular Weight308.32 g/mol
Exact Mass308.05
IUPAC Name2-[[(2-hydroxy-3-methoxybenzoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
SMILESCOc1cccc(C(=O)NCc2nc(C(=O)O)cs2)c1O
InChIInChI=1S/C13H12N2O5S/c1-20-9-4-2-3-7(11(9)16)12(17)14-5-10-15-8(6-21-10)13(18)19/h2-4,6,16H,5H2,1H3,(H,14,17)(H,18,19)
InChIKeyDVXAJPKYZLLZEZ-UHFFFAOYSA-N
XLogP1.49
TPSA108.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.32
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[(2-bromo-5-methoxybenzoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66380269
2-[[(2-propan-2-ylsulfanylbenzoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 99605644
2-[[(4,6-dimethoxypyrimidine-5-carbonyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 120527049
2-[[(3-hydroxybenzoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66381423
2-hydroxy-3-methoxy-N-(thiophen-2-ylmethyl)benzamide
CID 43242463
2-[[(2-propan-2-ylsulfonylbenzoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 119244990
2-[[(4-methoxythiophene-2-carbonyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 81126813
2-[[(3-methylbenzoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66380639
2-[[(2,5-dimethylthiophene-3-carbonyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66380470
2-[[[3-methoxy-4-(3-methylbutoxy)benzoyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 119244720
2-[[(2,5-dichlorobenzoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66379482
N-(2,2-dimethylpropyl)-2-hydroxy-3-methoxybenzamide
CID 61166501

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-hydroxy-3-methoxybenzoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[[(2-hydroxy-3-methoxybenzoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid (CID 66381219) is 2-[[(2-hydroxy-3-methoxybenzoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[[(2-hydroxy-3-methoxybenzoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[[(2-hydroxy-3-methoxybenzoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid is COc1cccc(C(=O)NCc2nc(C(=O)O)cs2)c1O.
What is the InChIKey of 2-[[(2-hydroxy-3-methoxybenzoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is DVXAJPKYZLLZEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O5S/c1-20-9-4-2-3-7(11(9)16)12(17)14-5-10-15-8(6-21-10)13(18)19/h2-4,6,16H,5H2,1H3,(H,14,17)(H,18,19).
What are the key properties of 2-[[(2-hydroxy-3-methoxybenzoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid?
2-[[(2-hydroxy-3-methoxybenzoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 308.32 g/mol, XLogP of 1.49, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-hydroxy-3-methoxybenzoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 66381219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).