ethyl 2-(4-chloro-2-methoxyphenyl)-1,3-thiazole-4-carboxylate

C13H12ClNO3S — CID 106819010

IUPACethyl 2-(4-chloro-2-methoxyphenyl)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(-c2ccc(Cl)cc2OC)n1
InChIInChI=1S/C13H12ClNO3S/c1-3-18-13(16)10-7-19-12(15-10)9-5-4-8(14)6-11(9)17-2/h4-7H,3H2,1-2H3
InChIKeySKFLYLLLJLPTJU-UHFFFAOYSA-N
MW297.76 g/mol
LogP3.65
Rot. Bonds4

About ethyl 2-(4-chloro-2-methoxyphenyl)-1,3-thiazole-4-carboxylate

ethyl 2-(4-chloro-2-methoxyphenyl)-1,3-thiazole-4-carboxylate (PubChem CID 106819010) has the molecular formula C13H12ClNO3S and a molecular weight of 297.76 g/mol. Its IUPAC name is ethyl 2-(4-chloro-2-methoxyphenyl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(4-chloro-2-methoxyphenyl)-1,3-thiazole-4-carboxylate
PubChem CID106819010
Molecular FormulaC13H12ClNO3S
Molecular Weight297.76 g/mol
Exact Mass297.02
IUPAC Nameethyl 2-(4-chloro-2-methoxyphenyl)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(-c2ccc(Cl)cc2OC)n1
InChIInChI=1S/C13H12ClNO3S/c1-3-18-13(16)10-7-19-12(15-10)9-5-4-8(14)6-11(9)17-2/h4-7H,3H2,1-2H3
InChIKeySKFLYLLLJLPTJU-UHFFFAOYSA-N
XLogP3.65
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.76
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 2-(4-chloro-2-methoxyphenyl)-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

ethyl 2-(2-fluoro-4-hydroxyphenyl)-1,3-thiazole-4-carboxylate
CID 136938657
ethyl 2-(4,6-dichloro-2-pyridinyl)-1,3-thiazole-4-carboxylate
CID 169498589
ethyl 2-(4-bromo-2-fluorophenyl)-1,3-thiazole-4-carboxylate
CID 114905320
ethyl 2-(2-amino-4-chlorobenzoyl)-1,3-thiazole-4-carboxylate
CID 168886969
ethyl 2-[2-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylate
CID 115422462
2-(2,4-difluorophenyl)-1,3-thiazole-4-carboxylic acid;ethyl 2-(2,4-difluorophenyl)-1,3-thiazole-4-carboxylate
CID 160576050
ethyl 2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carboxylate
CID 78974871
ethyl 2-(4-bromo-3-chlorophenyl)-1,3-thiazole-4-carboxylate
CID 114077100
ethyl 2-(3-bromo-4-chlorophenyl)-1,3-thiazole-4-carboxylate
CID 115565697
ethyl 2-[2-(hydroxymethyl)phenyl]-1,3-thiazole-4-carboxylate
CID 58924938
ethyl 2-(4-ethoxynaphthalen-1-yl)-1,3-thiazole-4-carboxylate;N-methylmethanamine
CID 70160605
ethyl 2-[3-(4-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]acetate
CID 106818962

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-chloro-2-methoxyphenyl)-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-(4-chloro-2-methoxyphenyl)-1,3-thiazole-4-carboxylate (CID 106819010) is ethyl 2-(4-chloro-2-methoxyphenyl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-(4-chloro-2-methoxyphenyl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-(4-chloro-2-methoxyphenyl)-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc(-c2ccc(Cl)cc2OC)n1.
What is the InChIKey of ethyl 2-(4-chloro-2-methoxyphenyl)-1,3-thiazole-4-carboxylate?
The InChIKey is SKFLYLLLJLPTJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO3S/c1-3-18-13(16)10-7-19-12(15-10)9-5-4-8(14)6-11(9)17-2/h4-7H,3H2,1-2H3.
What are the key properties of ethyl 2-(4-chloro-2-methoxyphenyl)-1,3-thiazole-4-carboxylate?
ethyl 2-(4-chloro-2-methoxyphenyl)-1,3-thiazole-4-carboxylate has a molecular weight of 297.76 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-chloro-2-methoxyphenyl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 106819010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).