1-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]propan-1-one

C8H8F3NOS — CID 129269984

IUPAC1-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]propan-1-one
SMILESCCC(=O)c1cnc(CC(F)(F)F)s1
InChIInChI=1S/C8H8F3NOS/c1-2-5(13)6-4-12-7(14-6)3-8(9,10)11/h4H,2-3H2,1H3
InChIKeyBBAXZHMQNZIROQ-UHFFFAOYSA-N
MW223.22 g/mol
LogP2.84
Rot. Bonds3

About 1-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]propan-1-one

1-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]propan-1-one (PubChem CID 129269984) has the molecular formula C8H8F3NOS and a molecular weight of 223.22 g/mol. Its IUPAC name is 1-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]propan-1-one.

Molecular Properties

Compound Name1-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]propan-1-one
PubChem CID129269984
Molecular FormulaC8H8F3NOS
Molecular Weight223.22 g/mol
Exact Mass223.03
IUPAC Name1-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]propan-1-one
SMILESCCC(=O)c1cnc(CC(F)(F)F)s1
InChIInChI=1S/C8H8F3NOS/c1-2-5(13)6-4-12-7(14-6)3-8(9,10)11/h4H,2-3H2,1H3
InChIKeyBBAXZHMQNZIROQ-UHFFFAOYSA-N
XLogP2.84
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.22
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1,3-Thiazol-5-yl)ethan-1-one
CID 14042329
1-(2-Methyl-1,3-thiazol-5-yl)ethan-1-one
CID 20815186
1-(2-Chloro-1,3-thiazol-5-yl)-2,2-difluoroethan-1-one
CID 165972733
2,2,2-Trifluoro-1-(2-methyl-1,3-thiazol-5-yl)ethan-1-one
CID 57620089
2-(4,4,4-Trifluoro-2-oxobutyl)-1,3-thiazole-5-carbaldehyde
CID 58378435
1-[2-(2,2,2-Trifluoroethoxy)-1,3-thiazol-5-yl]ethanone
CID 58629012
1-[2-(2,2,2-Trifluoroethyl)-1,3-thiazol-5-yl]ethanone
CID 62652804
Ethanone, 1-(2-bromo-5-thiazolyl)-2,2,2-trifluoro-
CID 67324338
2,2,2-Trifluoro-1-(1,3-thiazol-5-yl)ethan-1-one
CID 69192063
1-[2-(Fluoromethyl)-1,3-thiazol-5-yl]ethanone
CID 69675720
1-(2-(Trifluoromethyl)thiazol-5-yl)ethanone
CID 72214632
2,2-Difluoro-1-(1,3-thiazol-5-yl)ethan-1-one
CID 87864891

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]propan-1-one?
The IUPAC name of 1-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]propan-1-one (CID 129269984) is 1-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]propan-1-one.
What is the SMILES notation for 1-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]propan-1-one?
The canonical SMILES for 1-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]propan-1-one is CCC(=O)c1cnc(CC(F)(F)F)s1.
What is the InChIKey of 1-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]propan-1-one?
The InChIKey is BBAXZHMQNZIROQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NOS/c1-2-5(13)6-4-12-7(14-6)3-8(9,10)11/h4H,2-3H2,1H3.
What are the key properties of 1-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]propan-1-one?
1-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]propan-1-one has a molecular weight of 223.22 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]propan-1-one is sourced from PubChem (CID 129269984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).