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

C12H9Cl2NO2S — CID 2743900

IUPACethyl 2-(2,3-dichlorophenyl)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(-c2cccc(Cl)c2Cl)n1
InChIInChI=1S/C12H9Cl2NO2S/c1-2-17-12(16)9-6-18-11(15-9)7-4-3-5-8(13)10(7)14/h3-6H,2H2,1H3
InChIKeyDZFFVJGNGVCFIZ-UHFFFAOYSA-N
MW302.18 g/mol
LogP4.29
Rot. Bonds3

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

ethyl 2-(2,3-dichlorophenyl)-1,3-thiazole-4-carboxylate (PubChem CID 2743900) has the molecular formula C12H9Cl2NO2S and a molecular weight of 302.18 g/mol. Its IUPAC name is ethyl 2-(2,3-dichlorophenyl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(2,3-dichlorophenyl)-1,3-thiazole-4-carboxylate
PubChem CID2743900
Molecular FormulaC12H9Cl2NO2S
Molecular Weight302.18 g/mol
Exact Mass300.97
IUPAC Nameethyl 2-(2,3-dichlorophenyl)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(-c2cccc(Cl)c2Cl)n1
InChIInChI=1S/C12H9Cl2NO2S/c1-2-17-12(16)9-6-18-11(15-9)7-4-3-5-8(13)10(7)14/h3-6H,2H2,1H3
InChIKeyDZFFVJGNGVCFIZ-UHFFFAOYSA-N
XLogP4.29
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.18
LogP ≤ 54.29
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
2-(2-Chlorophenyl)-1,3-thiazole-4-carboxylic acid
CID 21085385
Ethyl 2-(2,4-difluorophenyl)thiazole-4-carboxylate
CID 2737174
[2-(2,3-Dichlorophenyl)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone
CID 137632218
[2-(2,3-Dichlorophenyl)-1,3-thiazol-4-yl]-(1,4-oxazepan-4-yl)methanone
CID 137662193
[4-(4-Chlorophenyl)-2-thiazolyl]methyl 2,2-dimethylpropanoate
CID 2726646
Ethyl 2-(4-methylphenyl)-1,3-thiazole-4-carboxylate
CID 2763627
2-(2,3-dichlorophenyl)-1,3-thiazole-4-carboxylic Acid
CID 2743987
2-(2,6-Dichlorophenyl)thiazole-4-carboxylic acid
CID 43140161
2-(3,4-Dichlorophenyl)-1,3-thiazole-4-carboxylic acid
CID 43140173

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,3-dichlorophenyl)-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-(2,3-dichlorophenyl)-1,3-thiazole-4-carboxylate (CID 2743900) is ethyl 2-(2,3-dichlorophenyl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-(2,3-dichlorophenyl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-(2,3-dichlorophenyl)-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc(-c2cccc(Cl)c2Cl)n1.
What is the InChIKey of ethyl 2-(2,3-dichlorophenyl)-1,3-thiazole-4-carboxylate?
The InChIKey is DZFFVJGNGVCFIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2NO2S/c1-2-17-12(16)9-6-18-11(15-9)7-4-3-5-8(13)10(7)14/h3-6H,2H2,1H3.
What are the key properties of ethyl 2-(2,3-dichlorophenyl)-1,3-thiazole-4-carboxylate?
ethyl 2-(2,3-dichlorophenyl)-1,3-thiazole-4-carboxylate has a molecular weight of 302.18 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,3-dichlorophenyl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 2743900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).