1-[4-methyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]ethanone

C11H15F3N2OS — CID 62749954

IUPAC1-[4-methyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1sc(N(CC(F)(F)F)C(C)C)nc1C
InChIInChI=1S/C11H15F3N2OS/c1-6(2)16(5-11(12,13)14)10-15-7(3)9(18-10)8(4)17/h6H,5H2,1-4H3
InChIKeyYDXHNFNFMBTZOD-UHFFFAOYSA-N
MW280.31 g/mol
LogP3.43
Rot. Bonds4

About 1-[4-methyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]ethanone

1-[4-methyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]ethanone (PubChem CID 62749954) has the molecular formula C11H15F3N2OS and a molecular weight of 280.31 g/mol. Its IUPAC name is 1-[4-methyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[4-methyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]ethanone
PubChem CID62749954
Molecular FormulaC11H15F3N2OS
Molecular Weight280.31 g/mol
Exact Mass280.09
IUPAC Name1-[4-methyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1sc(N(CC(F)(F)F)C(C)C)nc1C
InChIInChI=1S/C11H15F3N2OS/c1-6(2)16(5-11(12,13)14)10-15-7(3)9(18-10)8(4)17/h6H,5H2,1-4H3
InChIKeyYDXHNFNFMBTZOD-UHFFFAOYSA-N
XLogP3.43
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.31
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[4-methyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]ethanone (CID 62749954) is 1-[4-methyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[4-methyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[4-methyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]ethanone is CC(=O)c1sc(N(CC(F)(F)F)C(C)C)nc1C.
What is the InChIKey of 1-[4-methyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]ethanone?
The InChIKey is YDXHNFNFMBTZOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2OS/c1-6(2)16(5-11(12,13)14)10-15-7(3)9(18-10)8(4)17/h6H,5H2,1-4H3.
What are the key properties of 1-[4-methyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]ethanone?
1-[4-methyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]ethanone has a molecular weight of 280.31 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 62749954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).