2-[(2,4,5-trimethoxybenzoyl)amino]-1,3-thiazole-4-carboxylic acid

C14H14N2O6S — CID 19611008

IUPAC2-[(2,4,5-trimethoxybenzoyl)amino]-1,3-thiazole-4-carboxylic acid
SMILESCOc1cc(OC)c(C(=O)Nc2nc(C(=O)O)cs2)cc1OC
InChIInChI=1S/C14H14N2O6S/c1-20-9-5-11(22-3)10(21-2)4-7(9)12(17)16-14-15-8(6-23-14)13(18)19/h4-6H,1-3H3,(H,18,19)(H,15,16,17)
InChIKeyNJPNBZKMVUGMAU-UHFFFAOYSA-N
MW338.34 g/mol
LogP2.12
Rot. Bonds6

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

2-[(2,4,5-trimethoxybenzoyl)amino]-1,3-thiazole-4-carboxylic acid (PubChem CID 19611008) has the molecular formula C14H14N2O6S and a molecular weight of 338.34 g/mol. Its IUPAC name is 2-[(2,4,5-trimethoxybenzoyl)amino]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[(2,4,5-trimethoxybenzoyl)amino]-1,3-thiazole-4-carboxylic acid
PubChem CID19611008
Molecular FormulaC14H14N2O6S
Molecular Weight338.34 g/mol
Exact Mass338.06
IUPAC Name2-[(2,4,5-trimethoxybenzoyl)amino]-1,3-thiazole-4-carboxylic acid
SMILESCOc1cc(OC)c(C(=O)Nc2nc(C(=O)O)cs2)cc1OC
InChIInChI=1S/C14H14N2O6S/c1-20-9-5-11(22-3)10(21-2)4-7(9)12(17)16-14-15-8(6-23-14)13(18)19/h4-6H,1-3H3,(H,18,19)(H,15,16,17)
InChIKeyNJPNBZKMVUGMAU-UHFFFAOYSA-N
XLogP2.12
TPSA106.98 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.34
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[(2,4,5-trimethoxybenzoyl)amino]-1,3-thiazole-4-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

N-[4-(dimethylamino)phenyl]-2-[(2,4,5-trimethoxybenzoyl)amino]-1,3-thiazole-4-carboxamide
CID 19611054
2,4,5-trimethoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 8748148
N-[2-[bis(2-methylpropyl)amino]ethyl]-2-[(2,4,5-trimethoxybenzoyl)amino]-1,3-thiazole-4-carboxamide
CID 19611247
2-(methoxycarbonylamino)-1,3-thiazole-4-carboxylic acid
CID 86670247
N-(4-acetyl-1,3-thiazol-2-yl)-4-chloro-2-methoxybenzamide
CID 47450057
N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-2,4,5-trimethoxybenzamide
CID 8838918
N-(2-aminoethyl)-2-[(2-hydroxy-4,5-dimethoxybenzoyl)amino]-1,3-thiazole-4-carboxamide
CID 149307839
3-methoxy-N-(4-methyl-1,3-thiazol-2-yl)naphthalene-2-carboxamide
CID 2551174
N-[2-[2-(3,4-dimethoxyphenyl)ethyl-propan-2-ylamino]ethyl]-2-[(2,4,5-trimethoxybenzoyl)amino]-1,3-thiazole-4-carboxamide;hydrochloride
CID 19611084
2-[(2-hydroxy-5-propan-2-ylbenzoyl)amino]-1,3-thiazole-4-carboxylic acid
CID 155988765
2-[(4-bromo-2,5-dimethoxybenzoyl)amino]-N-[2-[di(propan-2-yl)amino]ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 19611000
2-[(2,3,4-trifluorobenzoyl)amino]-1,3-thiazole-4-carboxylic acid
CID 28858330

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4,5-trimethoxybenzoyl)amino]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[(2,4,5-trimethoxybenzoyl)amino]-1,3-thiazole-4-carboxylic acid (CID 19611008) is 2-[(2,4,5-trimethoxybenzoyl)amino]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[(2,4,5-trimethoxybenzoyl)amino]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[(2,4,5-trimethoxybenzoyl)amino]-1,3-thiazole-4-carboxylic acid is COc1cc(OC)c(C(=O)Nc2nc(C(=O)O)cs2)cc1OC.
What is the InChIKey of 2-[(2,4,5-trimethoxybenzoyl)amino]-1,3-thiazole-4-carboxylic acid?
The InChIKey is NJPNBZKMVUGMAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O6S/c1-20-9-5-11(22-3)10(21-2)4-7(9)12(17)16-14-15-8(6-23-14)13(18)19/h4-6H,1-3H3,(H,18,19)(H,15,16,17).
What are the key properties of 2-[(2,4,5-trimethoxybenzoyl)amino]-1,3-thiazole-4-carboxylic acid?
2-[(2,4,5-trimethoxybenzoyl)amino]-1,3-thiazole-4-carboxylic acid has a molecular weight of 338.34 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4,5-trimethoxybenzoyl)amino]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 19611008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).