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

C12H10ClNO2S — CID 53428801

IUPACethyl 4-(2-chlorophenyl)-1,3-thiazole-2-carboxylate
SMILESCCOC(=O)c1nc(-c2ccccc2Cl)cs1
InChIInChI=1S/C12H10ClNO2S/c1-2-16-12(15)11-14-10(7-17-11)8-5-3-4-6-9(8)13/h3-7H,2H2,1H3
InChIKeyBWJMWSPKWNVQFQ-UHFFFAOYSA-N
MW267.74 g/mol
LogP3.64
Rot. Bonds3

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

ethyl 4-(2-chlorophenyl)-1,3-thiazole-2-carboxylate (PubChem CID 53428801) has the molecular formula C12H10ClNO2S and a molecular weight of 267.74 g/mol. Its IUPAC name is ethyl 4-(2-chlorophenyl)-1,3-thiazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2-chlorophenyl)-1,3-thiazole-2-carboxylate
PubChem CID53428801
Molecular FormulaC12H10ClNO2S
Molecular Weight267.74 g/mol
Exact Mass267.01
IUPAC Nameethyl 4-(2-chlorophenyl)-1,3-thiazole-2-carboxylate
SMILESCCOC(=O)c1nc(-c2ccccc2Cl)cs1
InChIInChI=1S/C12H10ClNO2S/c1-2-16-12(15)11-14-10(7-17-11)8-5-3-4-6-9(8)13/h3-7H,2H2,1H3
InChIKeyBWJMWSPKWNVQFQ-UHFFFAOYSA-N
XLogP3.64
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.74
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-Chloro-phenyl)-thiazole-4-carboxylic acid
CID 673682
2-(3-chlorophenyl)-1,3-thiazole-4-carboxylic Acid
CID 2794667
2-(2,4-Dichlorophenyl)thiazole-4-carboxylic acid
CID 43140175
4-Phenylthiazole-2-carboxylic acid
CID 3878539
2-(2-Chlorophenyl)-1,3-thiazole-4-carboxylic acid
CID 21085385
2-(4-Chlorophenyl)-1,3-thiazole-4-carbaldehyde
CID 2115215
[4-(4-Chlorophenyl)-2-thiazolyl]methyl 2,2-dimethylpropanoate
CID 2726646
[4-(4-Fluorophenyl)-1,3-thiazol-2-yl]methyl pivalate
CID 2814901
Ethyl 2-(2,3-dichlorophenyl)-1,3-thiazole-4-carboxylate
CID 2743900
Ethyl 2-(4-methylphenyl)-1,3-thiazole-4-carboxylate
CID 2763627
2-(2,6-Dichlorophenyl)thiazole-4-carboxylic acid
CID 43140161
[2-(2-Chlorophenyl)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone
CID 137635932

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-chlorophenyl)-1,3-thiazole-2-carboxylate?
The IUPAC name of ethyl 4-(2-chlorophenyl)-1,3-thiazole-2-carboxylate (CID 53428801) is ethyl 4-(2-chlorophenyl)-1,3-thiazole-2-carboxylate.
What is the SMILES notation for ethyl 4-(2-chlorophenyl)-1,3-thiazole-2-carboxylate?
The canonical SMILES for ethyl 4-(2-chlorophenyl)-1,3-thiazole-2-carboxylate is CCOC(=O)c1nc(-c2ccccc2Cl)cs1.
What is the InChIKey of ethyl 4-(2-chlorophenyl)-1,3-thiazole-2-carboxylate?
The InChIKey is BWJMWSPKWNVQFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO2S/c1-2-16-12(15)11-14-10(7-17-11)8-5-3-4-6-9(8)13/h3-7H,2H2,1H3.
What are the key properties of ethyl 4-(2-chlorophenyl)-1,3-thiazole-2-carboxylate?
ethyl 4-(2-chlorophenyl)-1,3-thiazole-2-carboxylate has a molecular weight of 267.74 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-chlorophenyl)-1,3-thiazole-2-carboxylate is sourced from PubChem (CID 53428801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).