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

C7H6F3NOS — CID 53403013

IUPAC1-[5-methyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]ethanone
SMILESCC(=O)c1nc(C(F)(F)F)c(C)s1
InChIInChI=1S/C7H6F3NOS/c1-3(12)6-11-5(4(2)13-6)7(8,9)10/h1-2H3
InChIKeyMPIJFIFRGNTYNE-UHFFFAOYSA-N
MW209.19 g/mol
LogP2.67
Rot. Bonds1

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

1-[5-methyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]ethanone (PubChem CID 53403013) has the molecular formula C7H6F3NOS and a molecular weight of 209.19 g/mol. Its IUPAC name is 1-[5-methyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-methyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]ethanone
PubChem CID53403013
Molecular FormulaC7H6F3NOS
Molecular Weight209.19 g/mol
Exact Mass209.01
IUPAC Name1-[5-methyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]ethanone
SMILESCC(=O)c1nc(C(F)(F)F)c(C)s1
InChIInChI=1S/C7H6F3NOS/c1-3(12)6-11-5(4(2)13-6)7(8,9)10/h1-2H3
InChIKeyMPIJFIFRGNTYNE-UHFFFAOYSA-N
XLogP2.67
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.19
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(bromomethyl)-5-methyl-1,3-thiazol-2-yl]ethanone
CID 121279327
2-ethyl-5-methyl-4-(trifluoromethyl)-1,3-thiazole
CID 122174111
1-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]ethanone
CID 63524041
1-(4,5-dimethyl-1,3-thiazol-2-yl)-2,2,2-trifluoroethanone
CID 22106689
dimethyl 4-(trifluoromethyl)-1,3-thiazole-2,5-dicarboxylate
CID 131859626
1-[4-(3,4-difluorophenyl)-5-methyl-1,3-thiazol-2-yl]ethanone
CID 116867514
2-acetyl-4-methyl-1,3-thiazole-5-carboxylic acid
CID 71522241
2-acetyl-3-methyl-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 82035938
1-[4-(5-chloro-2-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]ethanone
CID 116867522
1-[4-(5-bromo-2-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]ethanone
CID 116867527
1-[4-(trifluoromethyl)-2-(2-trimethylsilylethynyl)-1,3-thiazol-5-yl]ethanone
CID 170741013
N-[2-chloro-4-(trifluoromethyl)-1,3-thiazol-5-yl]acetamide
CID 15091385

Frequently Asked Questions

What is the IUPAC name of 1-[5-methyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]ethanone?
The IUPAC name of 1-[5-methyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]ethanone (CID 53403013) is 1-[5-methyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]ethanone.
What is the SMILES notation for 1-[5-methyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]ethanone?
The canonical SMILES for 1-[5-methyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]ethanone is CC(=O)c1nc(C(F)(F)F)c(C)s1.
What is the InChIKey of 1-[5-methyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]ethanone?
The InChIKey is MPIJFIFRGNTYNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NOS/c1-3(12)6-11-5(4(2)13-6)7(8,9)10/h1-2H3.
What are the key properties of 1-[5-methyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]ethanone?
1-[5-methyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]ethanone has a molecular weight of 209.19 g/mol, XLogP of 2.67, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-methyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]ethanone is sourced from PubChem (CID 53403013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).