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

C11H10FNO2S — CID 69464501

IUPAC2-(4-fluorophenyl)-4-methyl-5H-1,3-thiazole-4-carboxylic acid
SMILESCC1(C(=O)O)CSC(c2ccc(F)cc2)=N1
InChIInChI=1S/C11H10FNO2S/c1-11(10(14)15)6-16-9(13-11)7-2-4-8(12)5-3-7/h2-5H,6H2,1H3,(H,14,15)
InChIKeyKKPGPWCMAUMVFB-UHFFFAOYSA-N
MW239.27 g/mol
LogP2.16
Rot. Bonds2

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

2-(4-fluorophenyl)-4-methyl-5H-1,3-thiazole-4-carboxylic acid (PubChem CID 69464501) has the molecular formula C11H10FNO2S and a molecular weight of 239.27 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4-methyl-5H-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4-methyl-5H-1,3-thiazole-4-carboxylic acid
PubChem CID69464501
Molecular FormulaC11H10FNO2S
Molecular Weight239.27 g/mol
Exact Mass239.04
IUPAC Name2-(4-fluorophenyl)-4-methyl-5H-1,3-thiazole-4-carboxylic acid
SMILESCC1(C(=O)O)CSC(c2ccc(F)cc2)=N1
InChIInChI=1S/C11H10FNO2S/c1-11(10(14)15)6-16-9(13-11)7-2-4-8(12)5-3-7/h2-5H,6H2,1H3,(H,14,15)
InChIKeyKKPGPWCMAUMVFB-UHFFFAOYSA-N
XLogP2.16
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-4-methyl-5H-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-(4-fluorophenyl)-4-methyl-5H-1,3-thiazole-4-carboxylic acid (CID 69464501) is 2-(4-fluorophenyl)-4-methyl-5H-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-(4-fluorophenyl)-4-methyl-5H-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-(4-fluorophenyl)-4-methyl-5H-1,3-thiazole-4-carboxylic acid is CC1(C(=O)O)CSC(c2ccc(F)cc2)=N1.
What is the InChIKey of 2-(4-fluorophenyl)-4-methyl-5H-1,3-thiazole-4-carboxylic acid?
The InChIKey is KKPGPWCMAUMVFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO2S/c1-11(10(14)15)6-16-9(13-11)7-2-4-8(12)5-3-7/h2-5H,6H2,1H3,(H,14,15).
What are the key properties of 2-(4-fluorophenyl)-4-methyl-5H-1,3-thiazole-4-carboxylic acid?
2-(4-fluorophenyl)-4-methyl-5H-1,3-thiazole-4-carboxylic acid has a molecular weight of 239.27 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-4-methyl-5H-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 69464501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).