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

C12H10ClNO3S — CID 2737429

IUPACethyl 2-(2-chlorophenyl)-4-hydroxy-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(-c2ccccc2Cl)nc1O
InChIInChI=1S/C12H10ClNO3S/c1-2-17-12(16)9-10(15)14-11(18-9)7-5-3-4-6-8(7)13/h3-6,15H,2H2,1H3
InChIKeyYGZWINIFAXHZFQ-UHFFFAOYSA-N
MW283.74 g/mol
LogP3.35
Rot. Bonds3

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

ethyl 2-(2-chlorophenyl)-4-hydroxy-1,3-thiazole-5-carboxylate (PubChem CID 2737429) has the molecular formula C12H10ClNO3S and a molecular weight of 283.74 g/mol. Its IUPAC name is ethyl 2-(2-chlorophenyl)-4-hydroxy-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(2-chlorophenyl)-4-hydroxy-1,3-thiazole-5-carboxylate
PubChem CID2737429
Molecular FormulaC12H10ClNO3S
Molecular Weight283.74 g/mol
Exact Mass283.01
IUPAC Nameethyl 2-(2-chlorophenyl)-4-hydroxy-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(-c2ccccc2Cl)nc1O
InChIInChI=1S/C12H10ClNO3S/c1-2-17-12(16)9-10(15)14-11(18-9)7-5-3-4-6-8(7)13/h3-6,15H,2H2,1H3
InChIKeyYGZWINIFAXHZFQ-UHFFFAOYSA-N
XLogP3.35
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.74
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 2-(2-chlorophenyl)-4-hydroxy-1,3-thiazole-5-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-chlorophenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
CID 96536531
ethyl 2-(2-chlorophenyl)-1,3-benzothiazole-6-carboxylate
CID 95930233
ethyl 5-(2-chlorophenyl)-2-methyl-1,3-thiazole-4-carboxylate
CID 22437391
ethyl 2-(2-methylphenyl)-4-phenyl-1,3-thiazole-5-carboxylate
CID 86277528
ethyl 2-(2-chlorophenyl)-1,3-oxazole-4-carboxylate
CID 53407303
ethyl 2-(2-chlorophenyl)-5-methyl-1H-imidazole-4-carboxylate
CID 43445075
ethyl 3-(2-chlorophenyl)-1,2,4-oxadiazole-5-carboxylate
CID 55191222
[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methanol
CID 22647489
ethyl 4-amino-2-(2-chlorophenyl)-6-methylpyrimidine-5-carboxylate
CID 116647802
ethyl 3-(2-chlorophenyl)-2H-azirine-2-carboxylate
CID 71574107
ethyl 5-(2-chlorophenyl)-2H-triazole-4-carboxylate
CID 118989014
2-(2-chlorophenyl)-4-propyl-1,3-thiazole-5-carbothioamide
CID 82431582

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-chlorophenyl)-4-hydroxy-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-(2-chlorophenyl)-4-hydroxy-1,3-thiazole-5-carboxylate (CID 2737429) is ethyl 2-(2-chlorophenyl)-4-hydroxy-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-(2-chlorophenyl)-4-hydroxy-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-(2-chlorophenyl)-4-hydroxy-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(-c2ccccc2Cl)nc1O.
What is the InChIKey of ethyl 2-(2-chlorophenyl)-4-hydroxy-1,3-thiazole-5-carboxylate?
The InChIKey is YGZWINIFAXHZFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO3S/c1-2-17-12(16)9-10(15)14-11(18-9)7-5-3-4-6-8(7)13/h3-6,15H,2H2,1H3.
What are the key properties of ethyl 2-(2-chlorophenyl)-4-hydroxy-1,3-thiazole-5-carboxylate?
ethyl 2-(2-chlorophenyl)-4-hydroxy-1,3-thiazole-5-carboxylate has a molecular weight of 283.74 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-chlorophenyl)-4-hydroxy-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 2737429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).