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

C14H11F3N2O2S — CID 178087810

IUPAC5-(3,3-difluoropyrrolidin-1-yl)-4-(4-fluorophenyl)-1,3-thiazole-2-carboxylic acid
SMILESO=C(O)c1nc(-c2ccc(F)cc2)c(N2CCC(F)(F)C2)s1
InChIInChI=1S/C14H11F3N2O2S/c15-9-3-1-8(2-4-9)10-12(22-11(18-10)13(20)21)19-6-5-14(16,17)7-19/h1-4H,5-7H2,(H,20,21)
InChIKeyFBEJIERIDSZANC-UHFFFAOYSA-N
MW328.31 g/mol
LogP3.49
Rot. Bonds3

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

5-(3,3-difluoropyrrolidin-1-yl)-4-(4-fluorophenyl)-1,3-thiazole-2-carboxylic acid (PubChem CID 178087810) has the molecular formula C14H11F3N2O2S and a molecular weight of 328.31 g/mol. Its IUPAC name is 5-(3,3-difluoropyrrolidin-1-yl)-4-(4-fluorophenyl)-1,3-thiazole-2-carboxylic acid.

Molecular Properties

Compound Name5-(3,3-difluoropyrrolidin-1-yl)-4-(4-fluorophenyl)-1,3-thiazole-2-carboxylic acid
PubChem CID178087810
Molecular FormulaC14H11F3N2O2S
Molecular Weight328.31 g/mol
Exact Mass328.05
IUPAC Name5-(3,3-difluoropyrrolidin-1-yl)-4-(4-fluorophenyl)-1,3-thiazole-2-carboxylic acid
SMILESO=C(O)c1nc(-c2ccc(F)cc2)c(N2CCC(F)(F)C2)s1
InChIInChI=1S/C14H11F3N2O2S/c15-9-3-1-8(2-4-9)10-12(22-11(18-10)13(20)21)19-6-5-14(16,17)7-19/h1-4H,5-7H2,(H,20,21)
InChIKeyFBEJIERIDSZANC-UHFFFAOYSA-N
XLogP3.49
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.31
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(3,3-difluoropyrrolidin-1-yl)-4-(4-fluorophenyl)-1,3-thiazole-2-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

3,3-difluoro-1-(4-fluorophenyl)pyrrolidine
CID 117007610
1-[4-[4-(4-fluorophenyl)phenyl]-5-phenyl-1,3-thiazol-2-yl]-3-methylpiperidine-3-carboxylic acid
CID 171750212
5-(4-fluorophenyl)-6-[methyl(propan-2-yl)amino]-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid
CID 70659766
5-methyl-4-(4-methylphenyl)-1,3-thiazole-2-carboxylic acid
CID 79023710
1-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]ethanone
CID 63525974
5-(6,6-difluoro-4-azaspiro[2.3]hexan-4-yl)-6-(4-fluorophenyl)pyrazine-2-carboxylic acid
CID 178088426
N-[1-[[5-(3,3-difluoropyrrolidine-1-carbonyl)-4-phenyl-1,3-thiazol-2-yl]amino]-2-methyl-1-oxopropan-2-yl]-4-fluorobenzamide
CID 57476897
ethyl 4-cyano-5-(4,4-difluoropiperidin-1-yl)-6-(4-fluorophenyl)pyridine-2-carboxylate
CID 178088219
N-[5-(4-cyclohexylpiperazin-1-yl)-4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 175236985
3-amino-5-(4,4-difluoropiperidin-1-yl)-N-ethenylsulfonyl-6-(4-fluorophenyl)pyrazine-2-carboxamide
CID 178088331
1-(4-fluorophenyl)-4-hydroxyazepane-4-carboxylic acid
CID 115055650
3-fluoro-1-(4-fluorophenyl)piperidine-3-carboxylic acid
CID 115055627

Frequently Asked Questions

What is the IUPAC name of 5-(3,3-difluoropyrrolidin-1-yl)-4-(4-fluorophenyl)-1,3-thiazole-2-carboxylic acid?
The IUPAC name of 5-(3,3-difluoropyrrolidin-1-yl)-4-(4-fluorophenyl)-1,3-thiazole-2-carboxylic acid (CID 178087810) is 5-(3,3-difluoropyrrolidin-1-yl)-4-(4-fluorophenyl)-1,3-thiazole-2-carboxylic acid.
What is the SMILES notation for 5-(3,3-difluoropyrrolidin-1-yl)-4-(4-fluorophenyl)-1,3-thiazole-2-carboxylic acid?
The canonical SMILES for 5-(3,3-difluoropyrrolidin-1-yl)-4-(4-fluorophenyl)-1,3-thiazole-2-carboxylic acid is O=C(O)c1nc(-c2ccc(F)cc2)c(N2CCC(F)(F)C2)s1.
What is the InChIKey of 5-(3,3-difluoropyrrolidin-1-yl)-4-(4-fluorophenyl)-1,3-thiazole-2-carboxylic acid?
The InChIKey is FBEJIERIDSZANC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2O2S/c15-9-3-1-8(2-4-9)10-12(22-11(18-10)13(20)21)19-6-5-14(16,17)7-19/h1-4H,5-7H2,(H,20,21).
What are the key properties of 5-(3,3-difluoropyrrolidin-1-yl)-4-(4-fluorophenyl)-1,3-thiazole-2-carboxylic acid?
5-(3,3-difluoropyrrolidin-1-yl)-4-(4-fluorophenyl)-1,3-thiazole-2-carboxylic acid has a molecular weight of 328.31 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3-difluoropyrrolidin-1-yl)-4-(4-fluorophenyl)-1,3-thiazole-2-carboxylic acid is sourced from PubChem (CID 178087810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).