2-[[(3-chloro-4-ethoxy-5-methoxybenzoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid

C15H15ClN2O5S — CID 119245161

IUPAC2-[[(3-chloro-4-ethoxy-5-methoxybenzoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
SMILESCCOc1c(Cl)cc(C(=O)NCc2nc(C(=O)O)cs2)cc1OC
InChIInChI=1S/C15H15ClN2O5S/c1-3-23-13-9(16)4-8(5-11(13)22-2)14(19)17-6-12-18-10(7-24-12)15(20)21/h4-5,7H,3,6H2,1-2H3,(H,17,19)(H,20,21)
InChIKeyRAOMRGYRSCVBQC-UHFFFAOYSA-N
MW370.81 g/mol
LogP2.83
Rot. Bonds7

About 2-[[(3-chloro-4-ethoxy-5-methoxybenzoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid

2-[[(3-chloro-4-ethoxy-5-methoxybenzoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 119245161) has the molecular formula C15H15ClN2O5S and a molecular weight of 370.81 g/mol. Its IUPAC name is 2-[[(3-chloro-4-ethoxy-5-methoxybenzoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[[(3-chloro-4-ethoxy-5-methoxybenzoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
PubChem CID119245161
Molecular FormulaC15H15ClN2O5S
Molecular Weight370.81 g/mol
Exact Mass370.04
IUPAC Name2-[[(3-chloro-4-ethoxy-5-methoxybenzoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
SMILESCCOc1c(Cl)cc(C(=O)NCc2nc(C(=O)O)cs2)cc1OC
InChIInChI=1S/C15H15ClN2O5S/c1-3-23-13-9(16)4-8(5-11(13)22-2)14(19)17-6-12-18-10(7-24-12)15(20)21/h4-5,7H,3,6H2,1-2H3,(H,17,19)(H,20,21)
InChIKeyRAOMRGYRSCVBQC-UHFFFAOYSA-N
XLogP2.83
TPSA97.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.81
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-chloro-4-ethoxy-N-ethyl-5-methoxybenzamide
CID 4019804
ethyl 2-[[(3-chloro-4-methoxybenzoyl)amino]methyl]-1,3-thiazole-4-carboxylate
CID 165403795
2-[[(4-butoxy-3-ethoxybenzoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 119245284
3-chloro-N-[(3,5-difluorophenyl)methyl]-4-ethoxy-5-methoxybenzamide
CID 37392157
2-[[[3-methoxy-4-(3-methylbutoxy)benzoyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 119244720
3,4,5-trimethoxy-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]benzamide
CID 110443343
2-[[(3-cyclopentyloxy-4-methoxybenzoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 120527073
2-[[(4,6-dimethoxypyrimidine-5-carbonyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 120527049
2-[[[5-chloro-6-(cyclopropylmethoxy)pyridine-3-carbonyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 120527118
3-chloro-4-ethoxy-N-(3-hydroxypentyl)-5-methoxybenzamide
CID 71848078
2-[[(4-methoxythiophene-2-carbonyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 81126813
2-[[(2-hydroxy-3-methoxybenzoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66381219

Frequently Asked Questions

What is the IUPAC name of 2-[[(3-chloro-4-ethoxy-5-methoxybenzoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[[(3-chloro-4-ethoxy-5-methoxybenzoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid (CID 119245161) is 2-[[(3-chloro-4-ethoxy-5-methoxybenzoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[[(3-chloro-4-ethoxy-5-methoxybenzoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[[(3-chloro-4-ethoxy-5-methoxybenzoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid is CCOc1c(Cl)cc(C(=O)NCc2nc(C(=O)O)cs2)cc1OC.
What is the InChIKey of 2-[[(3-chloro-4-ethoxy-5-methoxybenzoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is RAOMRGYRSCVBQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O5S/c1-3-23-13-9(16)4-8(5-11(13)22-2)14(19)17-6-12-18-10(7-24-12)15(20)21/h4-5,7H,3,6H2,1-2H3,(H,17,19)(H,20,21).
What are the key properties of 2-[[(3-chloro-4-ethoxy-5-methoxybenzoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid?
2-[[(3-chloro-4-ethoxy-5-methoxybenzoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 370.81 g/mol, XLogP of 2.83, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3-chloro-4-ethoxy-5-methoxybenzoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 119245161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).