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

C14H10F3N3S — CID 118871360

IUPAC2-phenyl-4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazole
SMILESFC(F)(F)c1ccn(Cc2csc(-c3ccccc3)n2)n1
InChIInChI=1S/C14H10F3N3S/c15-14(16,17)12-6-7-20(19-12)8-11-9-21-13(18-11)10-4-2-1-3-5-10/h1-7,9H,8H2
InChIKeyXCRMQRVXYJYWEK-UHFFFAOYSA-N
MW309.32 g/mol
LogP4.07
Rot. Bonds3

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

2-phenyl-4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazole (PubChem CID 118871360) has the molecular formula C14H10F3N3S and a molecular weight of 309.32 g/mol. Its IUPAC name is 2-phenyl-4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-phenyl-4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazole
PubChem CID118871360
Molecular FormulaC14H10F3N3S
Molecular Weight309.32 g/mol
Exact Mass309.05
IUPAC Name2-phenyl-4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazole
SMILESFC(F)(F)c1ccn(Cc2csc(-c3ccccc3)n2)n1
InChIInChI=1S/C14H10F3N3S/c15-14(16,17)12-6-7-20(19-12)8-11-9-21-13(18-11)10-4-2-1-3-5-10/h1-7,9H,8H2
InChIKeyXCRMQRVXYJYWEK-UHFFFAOYSA-N
XLogP4.07
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Phenyl-5-(1H-pyrazol-3-YL)-1,3-thiazole
CID 2763788
4-(3,4-Difluorophenyl)-2-pyridin-3-yl-1,3-thiazole
CID 2800024
2-Phenyl-4-pyridin-3-yl-1,3-thiazole
CID 2725998
4-methyl-2-phenyl-5-(1H-pyrazol-3-yl)-1,3-thiazole
CID 1480004
4-(2-Fluorophenyl)-2-pyridin-3-yl-1,3-thiazole
CID 2347880
4-(3,4-Difluorophenyl)-2-pyridin-2-yl-1,3-thiazole
CID 2446134
4-phenyl-2-(1H-pyrazol-1-yl)-1,3-thiazole
CID 1481751
2-(4-Phenyl-2-thiazolyl)pyridine
CID 16832293
5-[1-(Benzenesulfonyl)-3-pyrazolyl]-2-phenylthiazole
CID 1476736
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

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-phenyl-4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazole (CID 118871360) is 2-phenyl-4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-phenyl-4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-phenyl-4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazole is FC(F)(F)c1ccn(Cc2csc(-c3ccccc3)n2)n1.
What is the InChIKey of 2-phenyl-4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazole?
The InChIKey is XCRMQRVXYJYWEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N3S/c15-14(16,17)12-6-7-20(19-12)8-11-9-21-13(18-11)10-4-2-1-3-5-10/h1-7,9H,8H2.
What are the key properties of 2-phenyl-4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazole?
2-phenyl-4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazole has a molecular weight of 309.32 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 118871360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).