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

C8H9F3N2OS — CID 62751307

IUPAC1-[2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1cnc(N(C)CC(F)(F)F)s1
InChIInChI=1S/C8H9F3N2OS/c1-5(14)6-3-12-7(15-6)13(2)4-8(9,10)11/h3H,4H2,1-2H3
InChIKeyLUUVMPQMLFCTSK-UHFFFAOYSA-N
MW238.23 g/mol
LogP2.34
Rot. Bonds3

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

1-[2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]ethanone (PubChem CID 62751307) has the molecular formula C8H9F3N2OS and a molecular weight of 238.23 g/mol. Its IUPAC name is 1-[2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]ethanone
PubChem CID62751307
Molecular FormulaC8H9F3N2OS
Molecular Weight238.23 g/mol
Exact Mass238.04
IUPAC Name1-[2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1cnc(N(C)CC(F)(F)F)s1
InChIInChI=1S/C8H9F3N2OS/c1-5(14)6-3-12-7(15-6)13(2)4-8(9,10)11/h3H,4H2,1-2H3
InChIKeyLUUVMPQMLFCTSK-UHFFFAOYSA-N
XLogP2.34
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.23
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]ethanone (CID 62751307) is 1-[2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]ethanone is CC(=O)c1cnc(N(C)CC(F)(F)F)s1.
What is the InChIKey of 1-[2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]ethanone?
The InChIKey is LUUVMPQMLFCTSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2OS/c1-5(14)6-3-12-7(15-6)13(2)4-8(9,10)11/h3H,4H2,1-2H3.
What are the key properties of 1-[2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]ethanone?
1-[2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]ethanone has a molecular weight of 238.23 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 62751307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).