2-[2-(3-chloro-2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]acetic acid

C12H9ClFNO2S — CID 64661888

IUPAC2-[2-(3-chloro-2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]acetic acid
SMILESCc1nc(-c2cccc(Cl)c2F)sc1CC(=O)O
InChIInChI=1S/C12H9ClFNO2S/c1-6-9(5-10(16)17)18-12(15-6)7-3-2-4-8(13)11(7)14/h2-4H,5H2,1H3,(H,16,17)
InChIKeyUISRTKBCXZFQIM-UHFFFAOYSA-N
MW285.73 g/mol
LogP3.54
Rot. Bonds3

About 2-[2-(3-chloro-2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]acetic acid

2-[2-(3-chloro-2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]acetic acid (PubChem CID 64661888) has the molecular formula C12H9ClFNO2S and a molecular weight of 285.73 g/mol. Its IUPAC name is 2-[2-(3-chloro-2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(3-chloro-2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]acetic acid
PubChem CID64661888
Molecular FormulaC12H9ClFNO2S
Molecular Weight285.73 g/mol
Exact Mass285.00
IUPAC Name2-[2-(3-chloro-2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]acetic acid
SMILESCc1nc(-c2cccc(Cl)c2F)sc1CC(=O)O
InChIInChI=1S/C12H9ClFNO2S/c1-6-9(5-10(16)17)18-12(15-6)7-3-2-4-8(13)11(7)14/h2-4H,5H2,1H3,(H,16,17)
InChIKeyUISRTKBCXZFQIM-UHFFFAOYSA-N
XLogP3.54
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[2-(3-chloro-2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-[(3-chloro-2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 82802807
2-[2-(3,4-dichlorophenyl)-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 81492328
5-acetyl-2-(3-chloro-2-fluorophenyl)-1,3-thiazole-4-carboxylic acid
CID 106696128
methyl 2-(3-chloro-2-fluorophenyl)-5-methyl-1,3-thiazole-4-carboxylate
CID 113306543
2-[2-[(2,6-dichlorophenyl)methylsulfanyl]-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 29080549
[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methanol
CID 22647489
2-[2-(2,6-difluoroanilino)-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 82065147
1-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-3-[(4-fluorophenyl)methyl]urea
CID 71795660
2-[4-(2-chlorophenyl)-2-phenyl-1,3-thiazol-5-yl]acetic acid
CID 160806003
N-[[2-(2-fluoro-3-methylphenyl)-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 107111775
2-(8-chloro-2-methylquinolin-3-yl)acetic acid
CID 164563362
N-[[2-(3-chloro-2-fluorophenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114366130

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-chloro-2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]acetic acid?
The IUPAC name of 2-[2-(3-chloro-2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]acetic acid (CID 64661888) is 2-[2-(3-chloro-2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]acetic acid.
What is the SMILES notation for 2-[2-(3-chloro-2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]acetic acid?
The canonical SMILES for 2-[2-(3-chloro-2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]acetic acid is Cc1nc(-c2cccc(Cl)c2F)sc1CC(=O)O.
What is the InChIKey of 2-[2-(3-chloro-2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]acetic acid?
The InChIKey is UISRTKBCXZFQIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFNO2S/c1-6-9(5-10(16)17)18-12(15-6)7-3-2-4-8(13)11(7)14/h2-4H,5H2,1H3,(H,16,17).
What are the key properties of 2-[2-(3-chloro-2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]acetic acid?
2-[2-(3-chloro-2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]acetic acid has a molecular weight of 285.73 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-chloro-2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]acetic acid is sourced from PubChem (CID 64661888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).