1-(4-tert-butyl-1,3-thiazol-2-yl)-4,4,4-trifluorobutan-2-one

C11H14F3NOS — CID 79820022

IUPAC1-(4-tert-butyl-1,3-thiazol-2-yl)-4,4,4-trifluorobutan-2-one
SMILESCC(C)(C)c1csc(CC(=O)CC(F)(F)F)n1
InChIInChI=1S/C11H14F3NOS/c1-10(2,3)8-6-17-9(15-8)4-7(16)5-11(12,13)14/h6H,4-5H2,1-3H3
InChIKeyMVTIQIAPCPKVDG-UHFFFAOYSA-N
MW265.30 g/mol
LogP3.50
Rot. Bonds3

About 1-(4-tert-butyl-1,3-thiazol-2-yl)-4,4,4-trifluorobutan-2-one

1-(4-tert-butyl-1,3-thiazol-2-yl)-4,4,4-trifluorobutan-2-one (PubChem CID 79820022) has the molecular formula C11H14F3NOS and a molecular weight of 265.30 g/mol. Its IUPAC name is 1-(4-tert-butyl-1,3-thiazol-2-yl)-4,4,4-trifluorobutan-2-one.

Molecular Properties

Compound Name1-(4-tert-butyl-1,3-thiazol-2-yl)-4,4,4-trifluorobutan-2-one
PubChem CID79820022
Molecular FormulaC11H14F3NOS
Molecular Weight265.30 g/mol
Exact Mass265.07
IUPAC Name1-(4-tert-butyl-1,3-thiazol-2-yl)-4,4,4-trifluorobutan-2-one
SMILESCC(C)(C)c1csc(CC(=O)CC(F)(F)F)n1
InChIInChI=1S/C11H14F3NOS/c1-10(2,3)8-6-17-9(15-8)4-7(16)5-11(12,13)14/h6H,4-5H2,1-3H3
InChIKeyMVTIQIAPCPKVDG-UHFFFAOYSA-N
XLogP3.50
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.30
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(4-tert-butyl-1,3-thiazol-2-yl)-4,4,4-trifluorobutan-2-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 1-(4-tert-butyl-1,3-thiazol-2-yl)-4,4,4-trifluorobutan-2-one?
The IUPAC name of 1-(4-tert-butyl-1,3-thiazol-2-yl)-4,4,4-trifluorobutan-2-one (CID 79820022) is 1-(4-tert-butyl-1,3-thiazol-2-yl)-4,4,4-trifluorobutan-2-one.
What is the SMILES notation for 1-(4-tert-butyl-1,3-thiazol-2-yl)-4,4,4-trifluorobutan-2-one?
The canonical SMILES for 1-(4-tert-butyl-1,3-thiazol-2-yl)-4,4,4-trifluorobutan-2-one is CC(C)(C)c1csc(CC(=O)CC(F)(F)F)n1.
What is the InChIKey of 1-(4-tert-butyl-1,3-thiazol-2-yl)-4,4,4-trifluorobutan-2-one?
The InChIKey is MVTIQIAPCPKVDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NOS/c1-10(2,3)8-6-17-9(15-8)4-7(16)5-11(12,13)14/h6H,4-5H2,1-3H3.
What are the key properties of 1-(4-tert-butyl-1,3-thiazol-2-yl)-4,4,4-trifluorobutan-2-one?
1-(4-tert-butyl-1,3-thiazol-2-yl)-4,4,4-trifluorobutan-2-one has a molecular weight of 265.30 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butyl-1,3-thiazol-2-yl)-4,4,4-trifluorobutan-2-one is sourced from PubChem (CID 79820022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).