5-(4-butan-2-yl-1H-pyrazol-5-yl)-2-(trifluoromethyl)-1,3-thiazole

C11H12F3N3S — CID 169169585

IUPAC5-(4-butan-2-yl-1H-pyrazol-5-yl)-2-(trifluoromethyl)-1,3-thiazole
SMILESCCC(C)c1cn[nH]c1-c1cnc(C(F)(F)F)s1
InChIInChI=1S/C11H12F3N3S/c1-3-6(2)7-4-16-17-9(7)8-5-15-10(18-8)11(12,13)14/h4-6H,3H2,1-2H3,(H,16,17)
InChIKeyGQCXGXLCXCDBGS-UHFFFAOYSA-N
MW275.30 g/mol
LogP4.07
Rot. Bonds3

About 5-(4-butan-2-yl-1H-pyrazol-5-yl)-2-(trifluoromethyl)-1,3-thiazole

5-(4-butan-2-yl-1H-pyrazol-5-yl)-2-(trifluoromethyl)-1,3-thiazole (PubChem CID 169169585) has the molecular formula C11H12F3N3S and a molecular weight of 275.30 g/mol. Its IUPAC name is 5-(4-butan-2-yl-1H-pyrazol-5-yl)-2-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name5-(4-butan-2-yl-1H-pyrazol-5-yl)-2-(trifluoromethyl)-1,3-thiazole
PubChem CID169169585
Molecular FormulaC11H12F3N3S
Molecular Weight275.30 g/mol
Exact Mass275.07
IUPAC Name5-(4-butan-2-yl-1H-pyrazol-5-yl)-2-(trifluoromethyl)-1,3-thiazole
SMILESCCC(C)c1cn[nH]c1-c1cnc(C(F)(F)F)s1
InChIInChI=1S/C11H12F3N3S/c1-3-6(2)7-4-16-17-9(7)8-5-15-10(18-8)11(12,13)14/h4-6H,3H2,1-2H3,(H,16,17)
InChIKeyGQCXGXLCXCDBGS-UHFFFAOYSA-N
XLogP4.07
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Phenyl-5-(1H-pyrazol-3-YL)-1,3-thiazole
CID 2763788
4-methyl-2-phenyl-5-(1H-pyrazol-3-yl)-1,3-thiazole
CID 1480004
2-benzyl-4-methyl-5-(1H-pyrazol-5-yl)-1,3-thiazole
CID 162651058
4,12-Dimethyl-9-(trifluoromethyl)-5-thia-3,11,12-triazatricyclo[8.3.0.02,6]trideca-1(13),2(6),3,10-tetraene
CID 89819518
5-(1H-pyrazol-4-yl)-4-(trifluoromethyl)-1,3-thiazole
CID 167421994
4-Cyclobutyl-1-methyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrazol-5-amine
CID 169169432
4-Cyclobutyl-1-methyl-5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrazol-3-amine
CID 169169738
4-cyclobutyl-5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyrazol-3-amine
CID 169792989
4-methyl-5-(1H-pyrazol-5-yl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole
CID 45588556
5-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]-4-methyl-1,3-thiazole
CID 46958410
4-Methyl-2-phenyl-5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazole
CID 56358996
N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-2-(4-methyl-1,3-thiazol-5-yl)ethanamine
CID 70738731

Frequently Asked Questions

What is the IUPAC name of 5-(4-butan-2-yl-1H-pyrazol-5-yl)-2-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 5-(4-butan-2-yl-1H-pyrazol-5-yl)-2-(trifluoromethyl)-1,3-thiazole (CID 169169585) is 5-(4-butan-2-yl-1H-pyrazol-5-yl)-2-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 5-(4-butan-2-yl-1H-pyrazol-5-yl)-2-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 5-(4-butan-2-yl-1H-pyrazol-5-yl)-2-(trifluoromethyl)-1,3-thiazole is CCC(C)c1cn[nH]c1-c1cnc(C(F)(F)F)s1.
What is the InChIKey of 5-(4-butan-2-yl-1H-pyrazol-5-yl)-2-(trifluoromethyl)-1,3-thiazole?
The InChIKey is GQCXGXLCXCDBGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N3S/c1-3-6(2)7-4-16-17-9(7)8-5-15-10(18-8)11(12,13)14/h4-6H,3H2,1-2H3,(H,16,17).
What are the key properties of 5-(4-butan-2-yl-1H-pyrazol-5-yl)-2-(trifluoromethyl)-1,3-thiazole?
5-(4-butan-2-yl-1H-pyrazol-5-yl)-2-(trifluoromethyl)-1,3-thiazole has a molecular weight of 275.30 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-butan-2-yl-1H-pyrazol-5-yl)-2-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 169169585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).