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

C8H6F3N3S — CID 22288373

IUPAC2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazole
SMILESCn1nc(C(F)(F)F)cc1-c1nccs1
InChIInChI=1S/C8H6F3N3S/c1-14-5(7-12-2-3-15-7)4-6(13-14)8(9,10)11/h2-4H,1H3
InChIKeyYRCSTRISYFLDBB-UHFFFAOYSA-N
MW233.22 g/mol
LogP2.56
Rot. Bonds1

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

2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazole (PubChem CID 22288373) has the molecular formula C8H6F3N3S and a molecular weight of 233.22 g/mol. Its IUPAC name is 2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazole
PubChem CID22288373
Molecular FormulaC8H6F3N3S
Molecular Weight233.22 g/mol
Exact Mass233.02
IUPAC Name2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazole
SMILESCn1nc(C(F)(F)F)cc1-c1nccs1
InChIInChI=1S/C8H6F3N3S/c1-14-5(7-12-2-3-15-7)4-6(13-14)8(9,10)11/h2-4H,1H3
InChIKeyYRCSTRISYFLDBB-UHFFFAOYSA-N
XLogP2.56
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 ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazole?
The IUPAC name of 2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazole (CID 22288373) is 2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazole.
What is the SMILES notation for 2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazole?
The canonical SMILES for 2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazole is Cn1nc(C(F)(F)F)cc1-c1nccs1.
What is the InChIKey of 2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazole?
The InChIKey is YRCSTRISYFLDBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3N3S/c1-14-5(7-12-2-3-15-7)4-6(13-14)8(9,10)11/h2-4H,1H3.
What are the key properties of 2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazole?
2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazole has a molecular weight of 233.22 g/mol, XLogP of 2.56, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazole is sourced from PubChem (CID 22288373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).