4-chloro-3-(4-fluorophenyl)-1,2-thiazole-5-carboxylic acid

C10H5ClFNO2S — CID 13073239

IUPAC4-chloro-3-(4-fluorophenyl)-1,2-thiazole-5-carboxylic acid
SMILESO=C(O)c1snc(-c2ccc(F)cc2)c1Cl
InChIInChI=1S/C10H5ClFNO2S/c11-7-8(13-16-9(7)10(14)15)5-1-3-6(12)4-2-5/h1-4H,(H,14,15)
InChIKeyCSGXEFSFFOGBSB-UHFFFAOYSA-N
MW257.67 g/mol
LogP3.30
Rot. Bonds2

About 4-chloro-3-(4-fluorophenyl)-1,2-thiazole-5-carboxylic acid

4-chloro-3-(4-fluorophenyl)-1,2-thiazole-5-carboxylic acid (PubChem CID 13073239) has the molecular formula C10H5ClFNO2S and a molecular weight of 257.67 g/mol. Its IUPAC name is 4-chloro-3-(4-fluorophenyl)-1,2-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-chloro-3-(4-fluorophenyl)-1,2-thiazole-5-carboxylic acid
PubChem CID13073239
Molecular FormulaC10H5ClFNO2S
Molecular Weight257.67 g/mol
Exact Mass256.97
IUPAC Name4-chloro-3-(4-fluorophenyl)-1,2-thiazole-5-carboxylic acid
SMILESO=C(O)c1snc(-c2ccc(F)cc2)c1Cl
InChIInChI=1S/C10H5ClFNO2S/c11-7-8(13-16-9(7)10(14)15)5-1-3-6(12)4-2-5/h1-4H,(H,14,15)
InChIKeyCSGXEFSFFOGBSB-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

3-Phenyl-1,2-thiazole-5-carboxylic acid
CID 20265390
5-Isothiazolecarboxylic acid, 3-(3-(trifluoromethyl)phenyl)-
CID 3067924
5-Isothiazolecarboxylic acid, 4-chloro-3-(3-(trifluoromethyl)phenyl)-
CID 3067925
5-Isothiazolecarboxylic acid, 4-bromo-3-(3-(trifluoromethyl)phenyl)-
CID 3067926
3-(3,4-Dichlorophenyl)-1,2-thiazole-5-carboxylic acid
CID 65813927
3-(3-Chlorophenyl)-1,2-thiazole-5-carboxylic acid
CID 13073230
3-(3-Methylphenyl)-1,2-thiazole-5-carboxylic acid
CID 53337397
3-(p-Tolyl)isothiazole-5-carboxylic acid
CID 56766699
Methyl 4-chloro-3-(3-fluorophenyl)-1,2-thiazole-5-carboxylate
CID 85834642
4-Amino-3-(3-fluorophenyl)-1,2-thiazole-5-carboxylic acid
CID 13073207
4-Amino-3-(4-fluorophenyl)-1,2-thiazole-5-carboxylic acid
CID 13073208
Methyl 4-chloro-3-[3-(trifluoromethyl)phenyl]-5-isothiazolecarboxylate
CID 13073233

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(4-fluorophenyl)-1,2-thiazole-5-carboxylic acid?
The IUPAC name of 4-chloro-3-(4-fluorophenyl)-1,2-thiazole-5-carboxylic acid (CID 13073239) is 4-chloro-3-(4-fluorophenyl)-1,2-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-chloro-3-(4-fluorophenyl)-1,2-thiazole-5-carboxylic acid?
The canonical SMILES for 4-chloro-3-(4-fluorophenyl)-1,2-thiazole-5-carboxylic acid is O=C(O)c1snc(-c2ccc(F)cc2)c1Cl.
What is the InChIKey of 4-chloro-3-(4-fluorophenyl)-1,2-thiazole-5-carboxylic acid?
The InChIKey is CSGXEFSFFOGBSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5ClFNO2S/c11-7-8(13-16-9(7)10(14)15)5-1-3-6(12)4-2-5/h1-4H,(H,14,15).
What are the key properties of 4-chloro-3-(4-fluorophenyl)-1,2-thiazole-5-carboxylic acid?
4-chloro-3-(4-fluorophenyl)-1,2-thiazole-5-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-chloro-3-(4-fluorophenyl)-1,2-thiazole-5-carboxylic acid is sourced from PubChem (CID 13073239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).