1-[5-methyl-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]ethanone

C11H10F3N3OS — CID 1485649

IUPAC1-[5-methyl-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]ethanone
SMILESCC(=O)c1nc(-n2nc(C)cc2C(F)(F)F)sc1C
InChIInChI=1S/C11H10F3N3OS/c1-5-4-8(11(12,13)14)17(16-5)10-15-9(6(2)18)7(3)19-10/h4H,1-3H3
InChIKeyRZIXOAMVUBWKPR-UHFFFAOYSA-N
MW289.28 g/mol
LogP3.17
Rot. Bonds2

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

1-[5-methyl-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]ethanone (PubChem CID 1485649) has the molecular formula C11H10F3N3OS and a molecular weight of 289.28 g/mol. Its IUPAC name is 1-[5-methyl-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[5-methyl-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]ethanone
PubChem CID1485649
Molecular FormulaC11H10F3N3OS
Molecular Weight289.28 g/mol
Exact Mass289.05
IUPAC Name1-[5-methyl-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]ethanone
SMILESCC(=O)c1nc(-n2nc(C)cc2C(F)(F)F)sc1C
InChIInChI=1S/C11H10F3N3OS/c1-5-4-8(11(12,13)14)17(16-5)10-15-9(6(2)18)7(3)19-10/h4H,1-3H3
InChIKeyRZIXOAMVUBWKPR-UHFFFAOYSA-N
XLogP3.17
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.28
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-methyl-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]ethanone?
The IUPAC name of 1-[5-methyl-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]ethanone (CID 1485649) is 1-[5-methyl-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]ethanone.
What is the SMILES notation for 1-[5-methyl-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]ethanone?
The canonical SMILES for 1-[5-methyl-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]ethanone is CC(=O)c1nc(-n2nc(C)cc2C(F)(F)F)sc1C.
What is the InChIKey of 1-[5-methyl-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]ethanone?
The InChIKey is RZIXOAMVUBWKPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3OS/c1-5-4-8(11(12,13)14)17(16-5)10-15-9(6(2)18)7(3)19-10/h4H,1-3H3.
What are the key properties of 1-[5-methyl-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]ethanone?
1-[5-methyl-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]ethanone has a molecular weight of 289.28 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-methyl-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]ethanone is sourced from PubChem (CID 1485649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).