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

C8H6F3N3S — CID 174731377

IUPAC2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole
SMILESCc1cc(C(F)(F)F)nn1-c1nccs1
InChIInChI=1S/C8H6F3N3S/c1-5-4-6(8(9,10)11)13-14(5)7-12-2-3-15-7/h2-4H,1H3
InChIKeySVXNRMZIDMWWOM-UHFFFAOYSA-N
MW233.22 g/mol
LogP2.66
Rot. Bonds1

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

2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole (PubChem CID 174731377) has the molecular formula C8H6F3N3S and a molecular weight of 233.22 g/mol. Its IUPAC name is 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole
PubChem CID174731377
Molecular FormulaC8H6F3N3S
Molecular Weight233.22 g/mol
Exact Mass233.02
IUPAC Name2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole
SMILESCc1cc(C(F)(F)F)nn1-c1nccs1
InChIInChI=1S/C8H6F3N3S/c1-5-4-6(8(9,10)11)13-14(5)7-12-2-3-15-7/h2-4H,1H3
InChIKeySVXNRMZIDMWWOM-UHFFFAOYSA-N
XLogP2.66
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.22
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[5-methyl-3-(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

Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole?
The IUPAC name of 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole (CID 174731377) is 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole.
What is the SMILES notation for 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole?
The canonical SMILES for 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole is Cc1cc(C(F)(F)F)nn1-c1nccs1.
What is the InChIKey of 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole?
The InChIKey is SVXNRMZIDMWWOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3N3S/c1-5-4-6(8(9,10)11)13-14(5)7-12-2-3-15-7/h2-4H,1H3.
What are the key properties of 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole?
2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole has a molecular weight of 233.22 g/mol, XLogP of 2.66, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole is sourced from PubChem (CID 174731377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).