4-(4-chlorophenyl)-2-[3-thiophen-2-yl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole

C17H9ClF3N3S2 — CID 2717163

IUPAC4-(4-chlorophenyl)-2-[3-thiophen-2-yl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole
SMILESFC(F)(F)c1cc(-c2cccs2)nn1-c1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C17H9ClF3N3S2/c18-11-5-3-10(4-6-11)13-9-26-16(22-13)24-15(17(19,20)21)8-12(23-24)14-2-1-7-25-14/h1-9H
InChIKeyXFAGPHBFPFJYGX-UHFFFAOYSA-N
MW411.86 g/mol
LogP6.40
Rot. Bonds3

About 4-(4-chlorophenyl)-2-[3-thiophen-2-yl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole

4-(4-chlorophenyl)-2-[3-thiophen-2-yl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole (PubChem CID 2717163) has the molecular formula C17H9ClF3N3S2 and a molecular weight of 411.86 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2-[3-thiophen-2-yl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2-[3-thiophen-2-yl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole
PubChem CID2717163
Molecular FormulaC17H9ClF3N3S2
Molecular Weight411.86 g/mol
Exact Mass410.99
IUPAC Name4-(4-chlorophenyl)-2-[3-thiophen-2-yl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole
SMILESFC(F)(F)c1cc(-c2cccs2)nn1-c1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C17H9ClF3N3S2/c18-11-5-3-10(4-6-11)13-9-26-16(22-13)24-15(17(19,20)21)8-12(23-24)14-2-1-7-25-14/h1-9H
InChIKeyXFAGPHBFPFJYGX-UHFFFAOYSA-N
XLogP6.40
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.86
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-(4-chlorophenyl)-2-[3-thiophen-2-yl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole 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-(3-chlorophenyl)-2-(3,5-dimethyl-1H-pyrazol-1-yl)-1,3-thiazole
CID 829964
1-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-4-(2-thienyl)-1H-pyrazol-5-amine
CID 1474409
4-(4-chlorophenyl)-2-(3,5-dimethyl-1H-pyrazol-1-yl)-1,3-thiazole
CID 1498249
2-[5-(4-Chlorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole
CID 45151110
2-[5-(4-Chlorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-[4-(trifluoromethyl)phenyl]-1,3-thiazole
CID 101886904
1H-Pyrazol-5-amine, 3-(4-chlorophenyl)-1-(4-phenyl-2-thiazolyl)-
CID 986333
1H-Pyrazol-5-amine, 3-(4-chlorophenyl)-1-(4-(4-chlorophenyl)-2-thiazolyl)-
CID 3057627
Benzothiazole, 2-(4-butyl-3,5-dimethyl-1H-pyrazol-1-yl)-6-chloro-
CID 59866
1H-Pyrazol-5-amine, 1-(4-(4-chlorophenyl)-2-thiazolyl)-3-phenyl-
CID 1498382
4-(3,4-dichlorophenyl)-2-(3,5-dimethyl-1H-pyrazol-1-yl)-1,3-thiazole
CID 3303878
4-phenyl-2-[3-phenyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazole
CID 1472655
1H-Pyrazol-5-amine, 1-(4-(4-chlorophenyl)-2-thiazolyl)-3-(4-methylphenyl)-
CID 1498377

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-2-[3-thiophen-2-yl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole?
The IUPAC name of 4-(4-chlorophenyl)-2-[3-thiophen-2-yl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole (CID 2717163) is 4-(4-chlorophenyl)-2-[3-thiophen-2-yl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole.
What is the SMILES notation for 4-(4-chlorophenyl)-2-[3-thiophen-2-yl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole?
The canonical SMILES for 4-(4-chlorophenyl)-2-[3-thiophen-2-yl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole is FC(F)(F)c1cc(-c2cccs2)nn1-c1nc(-c2ccc(Cl)cc2)cs1.
What is the InChIKey of 4-(4-chlorophenyl)-2-[3-thiophen-2-yl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole?
The InChIKey is XFAGPHBFPFJYGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9ClF3N3S2/c18-11-5-3-10(4-6-11)13-9-26-16(22-13)24-15(17(19,20)21)8-12(23-24)14-2-1-7-25-14/h1-9H.
What are the key properties of 4-(4-chlorophenyl)-2-[3-thiophen-2-yl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole?
4-(4-chlorophenyl)-2-[3-thiophen-2-yl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole has a molecular weight of 411.86 g/mol, XLogP of 6.40, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-2-[3-thiophen-2-yl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole is sourced from PubChem (CID 2717163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).