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

C9H10F3NO2S — CID 103476002

IUPAC1-[4-methyl-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1sc(COCC(F)(F)F)nc1C
InChIInChI=1S/C9H10F3NO2S/c1-5-8(6(2)14)16-7(13-5)3-15-4-9(10,11)12/h3-4H2,1-2H3
InChIKeyRPPLTLFOALVVIX-UHFFFAOYSA-N
MW253.24 g/mol
LogP2.73
Rot. Bonds4

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

1-[4-methyl-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]ethanone (PubChem CID 103476002) has the molecular formula C9H10F3NO2S and a molecular weight of 253.24 g/mol. Its IUPAC name is 1-[4-methyl-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[4-methyl-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]ethanone
PubChem CID103476002
Molecular FormulaC9H10F3NO2S
Molecular Weight253.24 g/mol
Exact Mass253.04
IUPAC Name1-[4-methyl-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1sc(COCC(F)(F)F)nc1C
InChIInChI=1S/C9H10F3NO2S/c1-5-8(6(2)14)16-7(13-5)3-15-4-9(10,11)12/h3-4H2,1-2H3
InChIKeyRPPLTLFOALVVIX-UHFFFAOYSA-N
XLogP2.73
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.24
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-methyl-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]ethanone 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

methyl 4-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole-5-carboxylate
CID 103473424
1-[2-[(2,6-dimethylphenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]ethanone
CID 94284215
1-[4-methyl-2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazol-5-yl]ethanone
CID 82426991
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2,2,2-trifluoroethanesulfonamide
CID 166273875
1-(2-bromo-4-methyl-1,3-thiazol-5-yl)ethanone
CID 66644881
4-propan-2-yl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole-5-carboxylic acid
CID 103473433
1-[2-[(4-ethylphenyl)methyl]-4-methyl-1,3-thiazol-5-yl]ethanone
CID 82121319
2-[(4-chlorophenoxy)methyl]-4-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1,3-thiazole-5-carboxamide
CID 52658941
1-[2-[(4-hydroxy-1,3-thiazol-2-yl)methyl]-4-methyl-1,3-thiazol-5-yl]ethanone
CID 1482075
2-[2-(2,2,2-trifluoroethoxy)ethyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
CID 103146570
ethyl 2-methyl-2-[2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-4-yl]propanoate
CID 103473378
1-[4-methyl-2-[(4-methylanilino)methyl]-1,3-thiazol-5-yl]ethanone
CID 82121482

Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[4-methyl-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]ethanone (CID 103476002) is 1-[4-methyl-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[4-methyl-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[4-methyl-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]ethanone is CC(=O)c1sc(COCC(F)(F)F)nc1C.
What is the InChIKey of 1-[4-methyl-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]ethanone?
The InChIKey is RPPLTLFOALVVIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO2S/c1-5-8(6(2)14)16-7(13-5)3-15-4-9(10,11)12/h3-4H2,1-2H3.
What are the key properties of 1-[4-methyl-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]ethanone?
1-[4-methyl-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]ethanone has a molecular weight of 253.24 g/mol, XLogP of 2.73, 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-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 103476002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).