2-(3,4-dichlorophenyl)-1,3-thiazole-4-carboxylic acid

C10H5Cl2NO2S — CID 43140173

IUPAC2-(3,4-dichlorophenyl)-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(-c2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C10H5Cl2NO2S/c11-6-2-1-5(3-7(6)12)9-13-8(4-16-9)10(14)15/h1-4H,(H,14,15)
InChIKeyDWDLMDDOUHTLON-UHFFFAOYSA-N
MW274.13 g/mol
LogP3.82
Rot. Bonds2

About 2-(3,4-dichlorophenyl)-1,3-thiazole-4-carboxylic acid

2-(3,4-dichlorophenyl)-1,3-thiazole-4-carboxylic acid (PubChem CID 43140173) has the molecular formula C10H5Cl2NO2S and a molecular weight of 274.13 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-1,3-thiazole-4-carboxylic acid
PubChem CID43140173
Molecular FormulaC10H5Cl2NO2S
Molecular Weight274.13 g/mol
Exact Mass272.94
IUPAC Name2-(3,4-dichlorophenyl)-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(-c2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C10H5Cl2NO2S/c11-6-2-1-5(3-7(6)12)9-13-8(4-16-9)10(14)15/h1-4H,(H,14,15)
InChIKeyDWDLMDDOUHTLON-UHFFFAOYSA-N
XLogP3.82
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.13
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-Methylphenyl)-1,3-thiazole-4-carboxylic acid
CID 2794795
2-(4-Chloro-phenyl)-thiazole-4-carboxylic acid
CID 673682
2-Phenyl-4-carboxythiazole
CID 138928
2-(3-chlorophenyl)-1,3-thiazole-4-carboxylic Acid
CID 2794667
2-(4-Fluorophenyl)-1,3-thiazole-4-carboxylic acid
CID 4962882
2-(2,4-Dichlorophenyl)thiazole-4-carboxylic acid
CID 43140175
2-(2-Chlorophenyl)-1,3-thiazole-4-carboxylic acid
CID 21085385
2-(4-Chlorophenyl)-1,3-thiazole-4-carbaldehyde
CID 2115215
2-(4-(Trifluoromethyl)phenyl)-1,3-thiazole-4-carboxylic acid
CID 2794766
Ethyl 2-(2,3-dichlorophenyl)-1,3-thiazole-4-carboxylate
CID 2743900
2-((4-Chlorophenyl)methyl)-1,3-thiazole-4-carboxylic acid
CID 1491572
2-(2,3-dichlorophenyl)-1,3-thiazole-4-carboxylic Acid
CID 2743987

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-(3,4-dichlorophenyl)-1,3-thiazole-4-carboxylic acid (CID 43140173) is 2-(3,4-dichlorophenyl)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-(3,4-dichlorophenyl)-1,3-thiazole-4-carboxylic acid is O=C(O)c1csc(-c2ccc(Cl)c(Cl)c2)n1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-1,3-thiazole-4-carboxylic acid?
The InChIKey is DWDLMDDOUHTLON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Cl2NO2S/c11-6-2-1-5(3-7(6)12)9-13-8(4-16-9)10(14)15/h1-4H,(H,14,15).
What are the key properties of 2-(3,4-dichlorophenyl)-1,3-thiazole-4-carboxylic acid?
2-(3,4-dichlorophenyl)-1,3-thiazole-4-carboxylic acid has a molecular weight of 274.13 g/mol, XLogP of 3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 43140173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).