ethyl 2-[[(3-chloro-4-methoxybenzoyl)amino]methyl]-1,3-thiazole-4-carboxylate

C15H15ClN2O4S — CID 165403795

IUPACethyl 2-[[(3-chloro-4-methoxybenzoyl)amino]methyl]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(CNC(=O)c2ccc(OC)c(Cl)c2)n1
InChIInChI=1S/C15H15ClN2O4S/c1-3-22-15(20)11-8-23-13(18-11)7-17-14(19)9-4-5-12(21-2)10(16)6-9/h4-6,8H,3,7H2,1-2H3,(H,17,19)
InChIKeyVWPFVJGWJJIRPI-UHFFFAOYSA-N
MW354.82 g/mol
LogP2.91
Rot. Bonds6

About ethyl 2-[[(3-chloro-4-methoxybenzoyl)amino]methyl]-1,3-thiazole-4-carboxylate

ethyl 2-[[(3-chloro-4-methoxybenzoyl)amino]methyl]-1,3-thiazole-4-carboxylate (PubChem CID 165403795) has the molecular formula C15H15ClN2O4S and a molecular weight of 354.82 g/mol. Its IUPAC name is ethyl 2-[[(3-chloro-4-methoxybenzoyl)amino]methyl]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[(3-chloro-4-methoxybenzoyl)amino]methyl]-1,3-thiazole-4-carboxylate
PubChem CID165403795
Molecular FormulaC15H15ClN2O4S
Molecular Weight354.82 g/mol
Exact Mass354.04
IUPAC Nameethyl 2-[[(3-chloro-4-methoxybenzoyl)amino]methyl]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(CNC(=O)c2ccc(OC)c(Cl)c2)n1
InChIInChI=1S/C15H15ClN2O4S/c1-3-22-15(20)11-8-23-13(18-11)7-17-14(19)9-4-5-12(21-2)10(16)6-9/h4-6,8H,3,7H2,1-2H3,(H,17,19)
InChIKeyVWPFVJGWJJIRPI-UHFFFAOYSA-N
XLogP2.91
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.82
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[[(3-chloro-4-methoxybenzoyl)amino]methyl]-1,3-thiazole-4-carboxylate 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

2-[[(3-chloro-4-ethoxy-5-methoxybenzoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 119245161
3-chloro-4-methoxy-N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]benzamide
CID 23613074
ethyl 2-[[(2-methylbenzoyl)amino]methyl]-1,3-thiazole-4-carboxylate
CID 19864880
ethyl 2-[(3-chloro-4-methoxybenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 1047479
2-[[[3-methoxy-4-(3-methylbutoxy)benzoyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 119244720
ethyl 2-[(3-methoxy-4-methylbenzoyl)amino]-1,3-thiazole-4-carboxylate
CID 51229930
3-chloro-4-methoxy-N-(pyridin-4-ylmethyl)benzamide
CID 6472060
2-[[(4-butoxy-3-ethoxybenzoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 119245284
2-[[(3-cyclopentyloxy-4-methoxybenzoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 120527073
ethyl 2-[[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]methyl]-1,3-thiazole-4-carboxylate;dihydrochloride
CID 119887590
3-chloro-4-methoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 95970560
4-[[(3-chloro-4-methoxybenzoyl)amino]methyl]benzoic acid
CID 17171911

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[(3-chloro-4-methoxybenzoyl)amino]methyl]-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-[[(3-chloro-4-methoxybenzoyl)amino]methyl]-1,3-thiazole-4-carboxylate (CID 165403795) is ethyl 2-[[(3-chloro-4-methoxybenzoyl)amino]methyl]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[[(3-chloro-4-methoxybenzoyl)amino]methyl]-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-[[(3-chloro-4-methoxybenzoyl)amino]methyl]-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc(CNC(=O)c2ccc(OC)c(Cl)c2)n1.
What is the InChIKey of ethyl 2-[[(3-chloro-4-methoxybenzoyl)amino]methyl]-1,3-thiazole-4-carboxylate?
The InChIKey is VWPFVJGWJJIRPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O4S/c1-3-22-15(20)11-8-23-13(18-11)7-17-14(19)9-4-5-12(21-2)10(16)6-9/h4-6,8H,3,7H2,1-2H3,(H,17,19).
What are the key properties of ethyl 2-[[(3-chloro-4-methoxybenzoyl)amino]methyl]-1,3-thiazole-4-carboxylate?
ethyl 2-[[(3-chloro-4-methoxybenzoyl)amino]methyl]-1,3-thiazole-4-carboxylate has a molecular weight of 354.82 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[(3-chloro-4-methoxybenzoyl)amino]methyl]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 165403795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).