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

C10H12F3NOS — CID 137444337

IUPAC2,2-dimethyl-1-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]propan-1-one
SMILESCC(C)(C)C(=O)c1cnc(CC(F)(F)F)s1
InChIInChI=1S/C10H12F3NOS/c1-9(2,3)8(15)6-5-14-7(16-6)4-10(11,12)13/h5H,4H2,1-3H3
InChIKeyQBQSZBFTZYNYOY-UHFFFAOYSA-N
MW251.27 g/mol
LogP3.48
Rot. Bonds2

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

2,2-dimethyl-1-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]propan-1-one (PubChem CID 137444337) has the molecular formula C10H12F3NOS and a molecular weight of 251.27 g/mol. Its IUPAC name is 2,2-dimethyl-1-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]propan-1-one
PubChem CID137444337
Molecular FormulaC10H12F3NOS
Molecular Weight251.27 g/mol
Exact Mass251.06
IUPAC Name2,2-dimethyl-1-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]propan-1-one
SMILESCC(C)(C)C(=O)c1cnc(CC(F)(F)F)s1
InChIInChI=1S/C10H12F3NOS/c1-9(2,3)8(15)6-5-14-7(16-6)4-10(11,12)13/h5H,4H2,1-3H3
InChIKeyQBQSZBFTZYNYOY-UHFFFAOYSA-N
XLogP3.48
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.27
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,2-dimethyl-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

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]propan-1-one?
The IUPAC name of 2,2-dimethyl-1-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]propan-1-one (CID 137444337) is 2,2-dimethyl-1-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]propan-1-one is CC(C)(C)C(=O)c1cnc(CC(F)(F)F)s1.
What is the InChIKey of 2,2-dimethyl-1-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]propan-1-one?
The InChIKey is QBQSZBFTZYNYOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NOS/c1-9(2,3)8(15)6-5-14-7(16-6)4-10(11,12)13/h5H,4H2,1-3H3.
What are the key properties of 2,2-dimethyl-1-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]propan-1-one?
2,2-dimethyl-1-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]propan-1-one has a molecular weight of 251.27 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]propan-1-one is sourced from PubChem (CID 137444337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).