4-cyclopropyl-2-(2,4,6-trifluorophenyl)-1,3-thiazole-5-carboxylic acid

C13H8F3NO2S — CID 107920329

IUPAC4-cyclopropyl-2-(2,4,6-trifluorophenyl)-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1sc(-c2c(F)cc(F)cc2F)nc1C1CC1
InChIInChI=1S/C13H8F3NO2S/c14-6-3-7(15)9(8(16)4-6)12-17-10(5-1-2-5)11(20-12)13(18)19/h3-5H,1-2H2,(H,18,19)
InChIKeyDPLFBSZHCKPRNJ-UHFFFAOYSA-N
MW299.27 g/mol
LogP3.80
Rot. Bonds3

About 4-cyclopropyl-2-(2,4,6-trifluorophenyl)-1,3-thiazole-5-carboxylic acid

4-cyclopropyl-2-(2,4,6-trifluorophenyl)-1,3-thiazole-5-carboxylic acid (PubChem CID 107920329) has the molecular formula C13H8F3NO2S and a molecular weight of 299.27 g/mol. Its IUPAC name is 4-cyclopropyl-2-(2,4,6-trifluorophenyl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-cyclopropyl-2-(2,4,6-trifluorophenyl)-1,3-thiazole-5-carboxylic acid
PubChem CID107920329
Molecular FormulaC13H8F3NO2S
Molecular Weight299.27 g/mol
Exact Mass299.02
IUPAC Name4-cyclopropyl-2-(2,4,6-trifluorophenyl)-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1sc(-c2c(F)cc(F)cc2F)nc1C1CC1
InChIInChI=1S/C13H8F3NO2S/c14-6-3-7(15)9(8(16)4-6)12-17-10(5-1-2-5)11(20-12)13(18)19/h3-5H,1-2H2,(H,18,19)
InChIKeyDPLFBSZHCKPRNJ-UHFFFAOYSA-N
XLogP3.80
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.27
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-cyclopropyl-2-(2,4,6-trifluorophenyl)-1,3-thiazole-5-carboxylic 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

4-cyclopropyl-2-(3,5-difluorophenyl)-1,3-thiazole-5-carboxylic acid
CID 114360248
4-cyclopropyl-2-(2,5-dichlorophenyl)-1,3-thiazole-5-carboxylic acid
CID 114076223
4-(2-methylpropyl)-2-(2,4,6-trifluorophenyl)-1,3-thiazole-5-carboxylic acid
CID 107920330
4-cyclopropyl-2-(3,4-dimethylphenyl)-1,3-thiazole-5-carboxylic acid
CID 82488839
4-(methoxymethyl)-2-(2,4,6-trifluorophenyl)-1,3-thiazole-5-carboxylic acid
CID 107920327
4-cyclopropyl-2-(1,3-thiazol-5-yl)-1,3-thiazole-5-carboxylic acid
CID 114360208
4-cyclopropyl-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxylic acid
CID 98019165
2-(3-chlorophenyl)-4-cyclopropyl-1,3-thiazole-5-carboxylic acid
CID 98022837
4-cyclopropyl-2-(1-methylpyrazol-3-yl)-1,3-thiazole-5-carboxylic acid
CID 114360155
4-cyclopropyl-2-(3-methylimidazol-4-yl)-1,3-thiazole-5-carboxylic acid
CID 114360260
2-(3-bromofuran-2-yl)-4-cyclopropyl-1,3-thiazole-5-carboxylic acid
CID 106886088
4-cyclopropyl-2-[(4-fluorobenzoyl)amino]-1,3-thiazole-5-carboxylic acid
CID 94970365

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-(2,4,6-trifluorophenyl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-cyclopropyl-2-(2,4,6-trifluorophenyl)-1,3-thiazole-5-carboxylic acid (CID 107920329) is 4-cyclopropyl-2-(2,4,6-trifluorophenyl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-cyclopropyl-2-(2,4,6-trifluorophenyl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-cyclopropyl-2-(2,4,6-trifluorophenyl)-1,3-thiazole-5-carboxylic acid is O=C(O)c1sc(-c2c(F)cc(F)cc2F)nc1C1CC1.
What is the InChIKey of 4-cyclopropyl-2-(2,4,6-trifluorophenyl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is DPLFBSZHCKPRNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F3NO2S/c14-6-3-7(15)9(8(16)4-6)12-17-10(5-1-2-5)11(20-12)13(18)19/h3-5H,1-2H2,(H,18,19).
What are the key properties of 4-cyclopropyl-2-(2,4,6-trifluorophenyl)-1,3-thiazole-5-carboxylic acid?
4-cyclopropyl-2-(2,4,6-trifluorophenyl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 299.27 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-(2,4,6-trifluorophenyl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 107920329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).