4-(3-chloro-4-fluorophenyl)-1,3-thiazole-2-carboxylic acid

C10H5ClFNO2S — CID 79566531

IUPAC4-(3-chloro-4-fluorophenyl)-1,3-thiazole-2-carboxylic acid
SMILESO=C(O)c1nc(-c2ccc(F)c(Cl)c2)cs1
InChIInChI=1S/C10H5ClFNO2S/c11-6-3-5(1-2-7(6)12)8-4-16-9(13-8)10(14)15/h1-4H,(H,14,15)
InChIKeyKIFSFCQEQHQOCA-UHFFFAOYSA-N
MW257.67 g/mol
LogP3.30
Rot. Bonds2

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

4-(3-chloro-4-fluorophenyl)-1,3-thiazole-2-carboxylic acid (PubChem CID 79566531) has the molecular formula C10H5ClFNO2S and a molecular weight of 257.67 g/mol. Its IUPAC name is 4-(3-chloro-4-fluorophenyl)-1,3-thiazole-2-carboxylic acid.

Molecular Properties

Compound Name4-(3-chloro-4-fluorophenyl)-1,3-thiazole-2-carboxylic acid
PubChem CID79566531
Molecular FormulaC10H5ClFNO2S
Molecular Weight257.67 g/mol
Exact Mass256.97
IUPAC Name4-(3-chloro-4-fluorophenyl)-1,3-thiazole-2-carboxylic acid
SMILESO=C(O)c1nc(-c2ccc(F)c(Cl)c2)cs1
InChIInChI=1S/C10H5ClFNO2S/c11-6-3-5(1-2-7(6)12)8-4-16-9(13-8)10(14)15/h1-4H,(H,14,15)
InChIKeyKIFSFCQEQHQOCA-UHFFFAOYSA-N
XLogP3.30
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.67
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]ethanone
CID 63524922
2-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]acetic acid
CID 43120376
4-(3-chloro-4-fluorophenyl)-2-methyl-1,3-thiazole
CID 116967860
4-(4-phenylphenyl)-1,3-thiazole-2-carboxylic acid
CID 79567342
2-chloro-1-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]ethanone
CID 83969157
4-(3-carboxyphenyl)-1,3-thiazole-2-carboxylic acid
CID 18548742
4-(3-chloro-4-fluorophenyl)-N-propan-2-yl-1,3-thiazol-2-amine
CID 62942920
N-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]-2-fluorobenzamide
CID 47072656
3-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]pentan-3-amine
CID 61337081
4-(4-chlorophenyl)-1,3-thiazole-2-carboxamide
CID 10130961
4-(4-fluoro-3-methylphenyl)-1,3-thiazole-2-carboxamide
CID 116967907
4-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]benzoic acid
CID 1473794

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-fluorophenyl)-1,3-thiazole-2-carboxylic acid?
The IUPAC name of 4-(3-chloro-4-fluorophenyl)-1,3-thiazole-2-carboxylic acid (CID 79566531) is 4-(3-chloro-4-fluorophenyl)-1,3-thiazole-2-carboxylic acid.
What is the SMILES notation for 4-(3-chloro-4-fluorophenyl)-1,3-thiazole-2-carboxylic acid?
The canonical SMILES for 4-(3-chloro-4-fluorophenyl)-1,3-thiazole-2-carboxylic acid is O=C(O)c1nc(-c2ccc(F)c(Cl)c2)cs1.
What is the InChIKey of 4-(3-chloro-4-fluorophenyl)-1,3-thiazole-2-carboxylic acid?
The InChIKey is KIFSFCQEQHQOCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5ClFNO2S/c11-6-3-5(1-2-7(6)12)8-4-16-9(13-8)10(14)15/h1-4H,(H,14,15).
What are the key properties of 4-(3-chloro-4-fluorophenyl)-1,3-thiazole-2-carboxylic acid?
4-(3-chloro-4-fluorophenyl)-1,3-thiazole-2-carboxylic acid has a molecular weight of 257.67 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-fluorophenyl)-1,3-thiazole-2-carboxylic acid is sourced from PubChem (CID 79566531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).