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

C9H11F3N2OS — CID 62751308

IUPAC1-[4-methyl-2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1sc(N(C)CC(F)(F)F)nc1C
InChIInChI=1S/C9H11F3N2OS/c1-5-7(6(2)15)16-8(13-5)14(3)4-9(10,11)12/h4H2,1-3H3
InChIKeyWPTVXADWFMHMHQ-UHFFFAOYSA-N
MW252.26 g/mol
LogP2.65
Rot. Bonds3

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

1-[4-methyl-2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]ethanone (PubChem CID 62751308) has the molecular formula C9H11F3N2OS and a molecular weight of 252.26 g/mol. Its IUPAC name is 1-[4-methyl-2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[4-methyl-2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]ethanone
PubChem CID62751308
Molecular FormulaC9H11F3N2OS
Molecular Weight252.26 g/mol
Exact Mass252.05
IUPAC Name1-[4-methyl-2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1sc(N(C)CC(F)(F)F)nc1C
InChIInChI=1S/C9H11F3N2OS/c1-5-7(6(2)15)16-8(13-5)14(3)4-9(10,11)12/h4H2,1-3H3
InChIKeyWPTVXADWFMHMHQ-UHFFFAOYSA-N
XLogP2.65
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.26
LogP ≤ 52.65
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-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[4-methyl-2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]ethanone (CID 62751308) is 1-[4-methyl-2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[4-methyl-2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[4-methyl-2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]ethanone is CC(=O)c1sc(N(C)CC(F)(F)F)nc1C.
What is the InChIKey of 1-[4-methyl-2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]ethanone?
The InChIKey is WPTVXADWFMHMHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2OS/c1-5-7(6(2)15)16-8(13-5)14(3)4-9(10,11)12/h4H2,1-3H3.
What are the key properties of 1-[4-methyl-2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]ethanone?
1-[4-methyl-2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]ethanone has a molecular weight of 252.26 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 62751308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).