ethyl 5-(2-chlorophenyl)-2-methyl-1,3-thiazole-4-carboxylate

C13H12ClNO2S — CID 22437391

IUPACethyl 5-(2-chlorophenyl)-2-methyl-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(C)sc1-c1ccccc1Cl
InChIInChI=1S/C13H12ClNO2S/c1-3-17-13(16)11-12(18-8(2)15-11)9-6-4-5-7-10(9)14/h4-7H,3H2,1-2H3
InChIKeyWECCVAQEHKJFIZ-UHFFFAOYSA-N
MW281.76 g/mol
LogP3.95
Rot. Bonds3

About ethyl 5-(2-chlorophenyl)-2-methyl-1,3-thiazole-4-carboxylate

ethyl 5-(2-chlorophenyl)-2-methyl-1,3-thiazole-4-carboxylate (PubChem CID 22437391) has the molecular formula C13H12ClNO2S and a molecular weight of 281.76 g/mol. Its IUPAC name is ethyl 5-(2-chlorophenyl)-2-methyl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-(2-chlorophenyl)-2-methyl-1,3-thiazole-4-carboxylate
PubChem CID22437391
Molecular FormulaC13H12ClNO2S
Molecular Weight281.76 g/mol
Exact Mass281.03
IUPAC Nameethyl 5-(2-chlorophenyl)-2-methyl-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(C)sc1-c1ccccc1Cl
InChIInChI=1S/C13H12ClNO2S/c1-3-17-13(16)11-12(18-8(2)15-11)9-6-4-5-7-10(9)14/h4-7H,3H2,1-2H3
InChIKeyWECCVAQEHKJFIZ-UHFFFAOYSA-N
XLogP3.95
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.76
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 5-(2-chlorophenyl)-2-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

ethyl 2-methyl-5-phenyl-1,3-thiazole-4-carboxylate;hydrochloride
CID 112758002
ethyl 2-(2-chlorophenyl)-5-methyl-1H-imidazole-4-carboxylate
CID 43445075
ethyl 5-(2-chlorophenyl)-2H-triazole-4-carboxylate
CID 118989014
methyl 5-(2-ethoxyphenyl)-2-methyl-1,3-thiazole-4-carboxylate
CID 53271142
5-(2-chlorophenyl)-4-ethyl-2-methyl-1,3-thiazole
CID 163581067
ethyl 2-(2-chlorophenyl)-4-hydroxy-1,3-thiazole-5-carboxylate
CID 2737429
ethyl 3-(2-chlorophenyl)-1,2,4-oxadiazole-5-carboxylate
CID 55191222
ethyl 2-methyl-5-thiophen-3-yl-1,3-thiazole-4-carboxylate
CID 53271415
ethyl 4-amino-2-(2-chlorophenyl)-6-methylpyrimidine-5-carboxylate
CID 116647802
ethyl 5-[(3-chlorophenyl)methyl]-2-methyl-1,3-thiazole-4-carboxylate
CID 165177655
ethyl 2-amino-5-(2-chloro-6-fluorophenyl)-1,3-thiazole-4-carboxylate
CID 53271473
ethyl 5-(1,3-benzodioxol-5-yl)-2-methyl-1,3-thiazole-4-carboxylate
CID 59446803

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(2-chlorophenyl)-2-methyl-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 5-(2-chlorophenyl)-2-methyl-1,3-thiazole-4-carboxylate (CID 22437391) is ethyl 5-(2-chlorophenyl)-2-methyl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 5-(2-chlorophenyl)-2-methyl-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 5-(2-chlorophenyl)-2-methyl-1,3-thiazole-4-carboxylate is CCOC(=O)c1nc(C)sc1-c1ccccc1Cl.
What is the InChIKey of ethyl 5-(2-chlorophenyl)-2-methyl-1,3-thiazole-4-carboxylate?
The InChIKey is WECCVAQEHKJFIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO2S/c1-3-17-13(16)11-12(18-8(2)15-11)9-6-4-5-7-10(9)14/h4-7H,3H2,1-2H3.
What are the key properties of ethyl 5-(2-chlorophenyl)-2-methyl-1,3-thiazole-4-carboxylate?
ethyl 5-(2-chlorophenyl)-2-methyl-1,3-thiazole-4-carboxylate has a molecular weight of 281.76 g/mol, XLogP of 3.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(2-chlorophenyl)-2-methyl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 22437391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).