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

C10H5Cl2NO2S — CID 2743987

IUPAC2-(2,3-dichlorophenyl)-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(-c2cccc(Cl)c2Cl)n1
InChIInChI=1S/C10H5Cl2NO2S/c11-6-3-1-2-5(8(6)12)9-13-7(4-16-9)10(14)15/h1-4H,(H,14,15)
InChIKeyANTJCNIMRNBFMJ-UHFFFAOYSA-N
MW274.13 g/mol
LogP3.82
Rot. Bonds2

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

2-(2,3-dichlorophenyl)-1,3-thiazole-4-carboxylic acid (PubChem CID 2743987) has the molecular formula C10H5Cl2NO2S and a molecular weight of 274.13 g/mol. Its IUPAC name is 2-(2,3-dichlorophenyl)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(2,3-dichlorophenyl)-1,3-thiazole-4-carboxylic acid
PubChem CID2743987
Molecular FormulaC10H5Cl2NO2S
Molecular Weight274.13 g/mol
Exact Mass272.94
IUPAC Name2-(2,3-dichlorophenyl)-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(-c2cccc(Cl)c2Cl)n1
InChIInChI=1S/C10H5Cl2NO2S/c11-6-3-1-2-5(8(6)12)9-13-7(4-16-9)10(14)15/h1-4H,(H,14,15)
InChIKeyANTJCNIMRNBFMJ-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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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichlorophenyl)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-(2,3-dichlorophenyl)-1,3-thiazole-4-carboxylic acid (CID 2743987) is 2-(2,3-dichlorophenyl)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-(2,3-dichlorophenyl)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-(2,3-dichlorophenyl)-1,3-thiazole-4-carboxylic acid is O=C(O)c1csc(-c2cccc(Cl)c2Cl)n1.
What is the InChIKey of 2-(2,3-dichlorophenyl)-1,3-thiazole-4-carboxylic acid?
The InChIKey is ANTJCNIMRNBFMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Cl2NO2S/c11-6-3-1-2-5(8(6)12)9-13-7(4-16-9)10(14)15/h1-4H,(H,14,15).
What are the key properties of 2-(2,3-dichlorophenyl)-1,3-thiazole-4-carboxylic acid?
2-(2,3-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-(2,3-dichlorophenyl)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 2743987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).