2-[5-(4-ethoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]-4-(4-fluorophenyl)-1,3-thiazole

C21H15F4N3OS — CID 2716881

IUPAC2-[5-(4-ethoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]-4-(4-fluorophenyl)-1,3-thiazole
SMILESCCOc1ccc(-c2cc(C(F)(F)F)nn2-c2nc(-c3ccc(F)cc3)cs2)cc1
InChIInChI=1S/C21H15F4N3OS/c1-2-29-16-9-5-14(6-10-16)18-11-19(21(23,24)25)27-28(18)20-26-17(12-30-20)13-3-7-15(22)8-4-13/h3-12H,2H2,1H3
InChIKeyLMHWEAOCEJXPKR-UHFFFAOYSA-N
MW433.43 g/mol
LogP6.22
Rot. Bonds5

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

2-[5-(4-ethoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]-4-(4-fluorophenyl)-1,3-thiazole (PubChem CID 2716881) has the molecular formula C21H15F4N3OS and a molecular weight of 433.43 g/mol. Its IUPAC name is 2-[5-(4-ethoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]-4-(4-fluorophenyl)-1,3-thiazole.

Molecular Properties

Compound Name2-[5-(4-ethoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]-4-(4-fluorophenyl)-1,3-thiazole
PubChem CID2716881
Molecular FormulaC21H15F4N3OS
Molecular Weight433.43 g/mol
Exact Mass433.09
IUPAC Name2-[5-(4-ethoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]-4-(4-fluorophenyl)-1,3-thiazole
SMILESCCOc1ccc(-c2cc(C(F)(F)F)nn2-c2nc(-c3ccc(F)cc3)cs2)cc1
InChIInChI=1S/C21H15F4N3OS/c1-2-29-16-9-5-14(6-10-16)18-11-19(21(23,24)25)27-28(18)20-26-17(12-30-20)13-3-7-15(22)8-4-13/h3-12H,2H2,1H3
InChIKeyLMHWEAOCEJXPKR-UHFFFAOYSA-N
XLogP6.22
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.43
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[5-(4-ethoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]-4-(4-fluorophenyl)-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

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-ethoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]-4-(4-fluorophenyl)-1,3-thiazole?
The IUPAC name of 2-[5-(4-ethoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]-4-(4-fluorophenyl)-1,3-thiazole (CID 2716881) is 2-[5-(4-ethoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]-4-(4-fluorophenyl)-1,3-thiazole.
What is the SMILES notation for 2-[5-(4-ethoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]-4-(4-fluorophenyl)-1,3-thiazole?
The canonical SMILES for 2-[5-(4-ethoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]-4-(4-fluorophenyl)-1,3-thiazole is CCOc1ccc(-c2cc(C(F)(F)F)nn2-c2nc(-c3ccc(F)cc3)cs2)cc1.
What is the InChIKey of 2-[5-(4-ethoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]-4-(4-fluorophenyl)-1,3-thiazole?
The InChIKey is LMHWEAOCEJXPKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F4N3OS/c1-2-29-16-9-5-14(6-10-16)18-11-19(21(23,24)25)27-28(18)20-26-17(12-30-20)13-3-7-15(22)8-4-13/h3-12H,2H2,1H3.
What are the key properties of 2-[5-(4-ethoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]-4-(4-fluorophenyl)-1,3-thiazole?
2-[5-(4-ethoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]-4-(4-fluorophenyl)-1,3-thiazole has a molecular weight of 433.43 g/mol, XLogP of 6.22, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-ethoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]-4-(4-fluorophenyl)-1,3-thiazole is sourced from PubChem (CID 2716881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).