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

C22H17F4N3S — CID 141329994

IUPAC4-(4-fluorophenyl)-2-[1-[3-phenyl-5-(trifluoromethyl)pyrazol-1-yl]propan-2-yl]-1,3-thiazole
SMILESCC(Cn1nc(-c2ccccc2)cc1C(F)(F)F)c1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C22H17F4N3S/c1-14(21-27-19(13-30-21)16-7-9-17(23)10-8-16)12-29-20(22(24,25)26)11-18(28-29)15-5-3-2-4-6-15/h2-11,13-14H,12H2,1H3
InChIKeyVMTWIBZNCWVJKA-UHFFFAOYSA-N
MW431.46 g/mol
LogP6.64
Rot. Bonds5

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

4-(4-fluorophenyl)-2-[1-[3-phenyl-5-(trifluoromethyl)pyrazol-1-yl]propan-2-yl]-1,3-thiazole (PubChem CID 141329994) has the molecular formula C22H17F4N3S and a molecular weight of 431.46 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-2-[1-[3-phenyl-5-(trifluoromethyl)pyrazol-1-yl]propan-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name4-(4-fluorophenyl)-2-[1-[3-phenyl-5-(trifluoromethyl)pyrazol-1-yl]propan-2-yl]-1,3-thiazole
PubChem CID141329994
Molecular FormulaC22H17F4N3S
Molecular Weight431.46 g/mol
Exact Mass431.11
IUPAC Name4-(4-fluorophenyl)-2-[1-[3-phenyl-5-(trifluoromethyl)pyrazol-1-yl]propan-2-yl]-1,3-thiazole
SMILESCC(Cn1nc(-c2ccccc2)cc1C(F)(F)F)c1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C22H17F4N3S/c1-14(21-27-19(13-30-21)16-7-9-17(23)10-8-16)12-29-20(22(24,25)26)11-18(28-29)15-5-3-2-4-6-15/h2-11,13-14H,12H2,1H3
InChIKeyVMTWIBZNCWVJKA-UHFFFAOYSA-N
XLogP6.64
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.46
LogP ≤ 56.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(6-((2-Fluorobenzyl)thio)pyridazin-3-yl)-2,4-dimethylthiazole
CID 7207507
5-[1-[(4-Methylphenyl)methyl]-3-pyrazolyl]-2-phenylthiazole
CID 1476741
5-[1-[(4-Fluorophenyl)methyl]-3-pyrazolyl]-2-phenylthiazole
CID 1476746
5-(1-benzyl-1H-pyrazol-3-yl)-2-phenyl-1,3-thiazole
CID 1476747
2-[2-(3,5-Dimethylpyrazol-1-yl)ethyl]-4-(4-fluorophenyl)-1,3-thiazole
CID 2327977
4-methyl-5-(1-methyl-1H-pyrazol-5-yl)-2-phenyl-1,3-thiazole
CID 2768051
CID 15944745
CID 15944745
4-Methyl-5-[1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]-2-phenyl-1,3-thiazole
CID 127053150
5-(6-((3-Fluorobenzyl)thio)pyridazin-3-yl)-2,4-dimethylthiazole
CID 7207506
4-(4-Tert-butylphenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3-thiazole
CID 2370269
N-{[3-(4-fluorophenyl)-1-(4-methylphenyl)-1H-pyrazol-4-yl]methyl}-2-(1,3-thiazol-4-yl)ethanamine
CID 16191955
N-[[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methyl]-1-pyrazol-1-ylpropan-2-amine
CID 53554686

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-2-[1-[3-phenyl-5-(trifluoromethyl)pyrazol-1-yl]propan-2-yl]-1,3-thiazole?
The IUPAC name of 4-(4-fluorophenyl)-2-[1-[3-phenyl-5-(trifluoromethyl)pyrazol-1-yl]propan-2-yl]-1,3-thiazole (CID 141329994) is 4-(4-fluorophenyl)-2-[1-[3-phenyl-5-(trifluoromethyl)pyrazol-1-yl]propan-2-yl]-1,3-thiazole.
What is the SMILES notation for 4-(4-fluorophenyl)-2-[1-[3-phenyl-5-(trifluoromethyl)pyrazol-1-yl]propan-2-yl]-1,3-thiazole?
The canonical SMILES for 4-(4-fluorophenyl)-2-[1-[3-phenyl-5-(trifluoromethyl)pyrazol-1-yl]propan-2-yl]-1,3-thiazole is CC(Cn1nc(-c2ccccc2)cc1C(F)(F)F)c1nc(-c2ccc(F)cc2)cs1.
What is the InChIKey of 4-(4-fluorophenyl)-2-[1-[3-phenyl-5-(trifluoromethyl)pyrazol-1-yl]propan-2-yl]-1,3-thiazole?
The InChIKey is VMTWIBZNCWVJKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F4N3S/c1-14(21-27-19(13-30-21)16-7-9-17(23)10-8-16)12-29-20(22(24,25)26)11-18(28-29)15-5-3-2-4-6-15/h2-11,13-14H,12H2,1H3.
What are the key properties of 4-(4-fluorophenyl)-2-[1-[3-phenyl-5-(trifluoromethyl)pyrazol-1-yl]propan-2-yl]-1,3-thiazole?
4-(4-fluorophenyl)-2-[1-[3-phenyl-5-(trifluoromethyl)pyrazol-1-yl]propan-2-yl]-1,3-thiazole has a molecular weight of 431.46 g/mol, XLogP of 6.64, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-2-[1-[3-phenyl-5-(trifluoromethyl)pyrazol-1-yl]propan-2-yl]-1,3-thiazole is sourced from PubChem (CID 141329994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).