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

C15H20F3N3S — CID 155109920

IUPAC4-[3-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]butyl]-2-propan-2-yl-1,3-thiazole
SMILESCC(C)c1nc(CCC(C)(C)n2ccc(C(F)(F)F)n2)cs1
InChIInChI=1S/C15H20F3N3S/c1-10(2)13-19-11(9-22-13)5-7-14(3,4)21-8-6-12(20-21)15(16,17)18/h6,8-10H,5,7H2,1-4H3
InChIKeyGKVCWYKYBLINPB-UHFFFAOYSA-N
MW331.41 g/mol
LogP4.85
Rot. Bonds5

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

4-[3-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]butyl]-2-propan-2-yl-1,3-thiazole (PubChem CID 155109920) has the molecular formula C15H20F3N3S and a molecular weight of 331.41 g/mol. Its IUPAC name is 4-[3-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]butyl]-2-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name4-[3-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]butyl]-2-propan-2-yl-1,3-thiazole
PubChem CID155109920
Molecular FormulaC15H20F3N3S
Molecular Weight331.41 g/mol
Exact Mass331.13
IUPAC Name4-[3-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]butyl]-2-propan-2-yl-1,3-thiazole
SMILESCC(C)c1nc(CCC(C)(C)n2ccc(C(F)(F)F)n2)cs1
InChIInChI=1S/C15H20F3N3S/c1-10(2)13-19-11(9-22-13)5-7-14(3,4)21-8-6-12(20-21)15(16,17)18/h6,8-10H,5,7H2,1-4H3
InChIKeyGKVCWYKYBLINPB-UHFFFAOYSA-N
XLogP4.85
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.41
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]butyl]-2-propan-2-yl-1,3-thiazole?
The IUPAC name of 4-[3-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]butyl]-2-propan-2-yl-1,3-thiazole (CID 155109920) is 4-[3-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]butyl]-2-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 4-[3-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]butyl]-2-propan-2-yl-1,3-thiazole?
The canonical SMILES for 4-[3-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]butyl]-2-propan-2-yl-1,3-thiazole is CC(C)c1nc(CCC(C)(C)n2ccc(C(F)(F)F)n2)cs1.
What is the InChIKey of 4-[3-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]butyl]-2-propan-2-yl-1,3-thiazole?
The InChIKey is GKVCWYKYBLINPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N3S/c1-10(2)13-19-11(9-22-13)5-7-14(3,4)21-8-6-12(20-21)15(16,17)18/h6,8-10H,5,7H2,1-4H3.
What are the key properties of 4-[3-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]butyl]-2-propan-2-yl-1,3-thiazole?
4-[3-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]butyl]-2-propan-2-yl-1,3-thiazole has a molecular weight of 331.41 g/mol, XLogP of 4.85, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]butyl]-2-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 155109920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).