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

C19H12F3N3S — CID 1472655

IUPAC4-phenyl-2-[3-phenyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole
SMILESFC(F)(F)c1cc(-c2ccccc2)nn1-c1nc(-c2ccccc2)cs1
InChIInChI=1S/C19H12F3N3S/c20-19(21,22)17-11-15(13-7-3-1-4-8-13)24-25(17)18-23-16(12-26-18)14-9-5-2-6-10-14/h1-12H
InChIKeyQGGSRZMJYZGXPE-UHFFFAOYSA-N
MW371.39 g/mol
LogP5.68
Rot. Bonds3

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

4-phenyl-2-[3-phenyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole (PubChem CID 1472655) has the molecular formula C19H12F3N3S and a molecular weight of 371.39 g/mol. Its IUPAC name is 4-phenyl-2-[3-phenyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole.

Molecular Properties

Compound Name4-phenyl-2-[3-phenyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole
PubChem CID1472655
Molecular FormulaC19H12F3N3S
Molecular Weight371.39 g/mol
Exact Mass371.07
IUPAC Name4-phenyl-2-[3-phenyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole
SMILESFC(F)(F)c1cc(-c2ccccc2)nn1-c1nc(-c2ccccc2)cs1
InChIInChI=1S/C19H12F3N3S/c20-19(21,22)17-11-15(13-7-3-1-4-8-13)24-25(17)18-23-16(12-26-18)14-9-5-2-6-10-14/h1-12H
InChIKeyQGGSRZMJYZGXPE-UHFFFAOYSA-N
XLogP5.68
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.39
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-(4,5-Dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide)
CID 64965
Methylthiazoletetrazolium
CID 64966
(E)-3-[2-(4-methyl-3,5-diphenylpyrazol-1-yl)-1,3-thiazol-4-yl]prop-2-enoic acid
CID 59179264
2-[3,5-Diphenyl-4-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid
CID 68329608
4-phenyl-2-(1H-pyrazol-1-yl)-1,3-thiazole
CID 1481751
Thiazole, 2-(3,5-dimethyl-1-pyrazolyl)-4-phenyl-
CID 388615
4-(3-chlorophenyl)-2-(3,5-dimethyl-1H-pyrazol-1-yl)-1,3-thiazole
CID 829964
4-(4-chlorophenyl)-2-(3,5-dimethyl-1H-pyrazol-1-yl)-1,3-thiazole
CID 1498249
2-Phenyl-4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazole;hydrobromide
CID 6603274
1H-Pyrazol-5-amine, 3-(4-bromophenyl)-1-(4-(4-bromophenyl)-2-thiazolyl)-
CID 100592
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

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2-[3-phenyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole?
The IUPAC name of 4-phenyl-2-[3-phenyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole (CID 1472655) is 4-phenyl-2-[3-phenyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole.
What is the SMILES notation for 4-phenyl-2-[3-phenyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole?
The canonical SMILES for 4-phenyl-2-[3-phenyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole is FC(F)(F)c1cc(-c2ccccc2)nn1-c1nc(-c2ccccc2)cs1.
What is the InChIKey of 4-phenyl-2-[3-phenyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole?
The InChIKey is QGGSRZMJYZGXPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F3N3S/c20-19(21,22)17-11-15(13-7-3-1-4-8-13)24-25(17)18-23-16(12-26-18)14-9-5-2-6-10-14/h1-12H.
What are the key properties of 4-phenyl-2-[3-phenyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole?
4-phenyl-2-[3-phenyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole has a molecular weight of 371.39 g/mol, XLogP of 5.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2-[3-phenyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole is sourced from PubChem (CID 1472655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).