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

C11H12F3N3S — CID 169162942

IUPAC2-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5-propan-2-yl-1,3-thiazole
SMILESCC(C)c1cnc(-c2cn(C)nc2C(F)(F)F)s1
InChIInChI=1S/C11H12F3N3S/c1-6(2)8-4-15-10(18-8)7-5-17(3)16-9(7)11(12,13)14/h4-6H,1-3H3
InChIKeyDGPWDZLFRPPBNY-UHFFFAOYSA-N
MW275.30 g/mol
LogP3.69
Rot. Bonds2

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

2-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5-propan-2-yl-1,3-thiazole (PubChem CID 169162942) has the molecular formula C11H12F3N3S and a molecular weight of 275.30 g/mol. Its IUPAC name is 2-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name2-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5-propan-2-yl-1,3-thiazole
PubChem CID169162942
Molecular FormulaC11H12F3N3S
Molecular Weight275.30 g/mol
Exact Mass275.07
IUPAC Name2-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5-propan-2-yl-1,3-thiazole
SMILESCC(C)c1cnc(-c2cn(C)nc2C(F)(F)F)s1
InChIInChI=1S/C11H12F3N3S/c1-6(2)8-4-15-10(18-8)7-5-17(3)16-9(7)11(12,13)14/h4-6H,1-3H3
InChIKeyDGPWDZLFRPPBNY-UHFFFAOYSA-N
XLogP3.69
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 53.69
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-4-yl]-5-propan-2-yl-1,3-thiazole?
The IUPAC name of 2-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5-propan-2-yl-1,3-thiazole (CID 169162942) is 2-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 2-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5-propan-2-yl-1,3-thiazole?
The canonical SMILES for 2-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5-propan-2-yl-1,3-thiazole is CC(C)c1cnc(-c2cn(C)nc2C(F)(F)F)s1.
What is the InChIKey of 2-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5-propan-2-yl-1,3-thiazole?
The InChIKey is DGPWDZLFRPPBNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N3S/c1-6(2)8-4-15-10(18-8)7-5-17(3)16-9(7)11(12,13)14/h4-6H,1-3H3.
What are the key properties of 2-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5-propan-2-yl-1,3-thiazole?
2-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5-propan-2-yl-1,3-thiazole has a molecular weight of 275.30 g/mol, XLogP of 3.69, 2 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-4-yl]-5-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 169162942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).