5-(2,2-dimethylpropyl)-2-(trifluoromethyl)-1,3-thiazole

C9H12F3NS — CID 118516102

IUPAC5-(2,2-dimethylpropyl)-2-(trifluoromethyl)-1,3-thiazole
SMILESCC(C)(C)Cc1cnc(C(F)(F)F)s1
InChIInChI=1S/C9H12F3NS/c1-8(2,3)4-6-5-13-7(14-6)9(10,11)12/h5H,4H2,1-3H3
InChIKeyUNXJZGRFRGYCSG-UHFFFAOYSA-N
MW223.26 g/mol
LogP3.75
Rot. Bonds1

About 5-(2,2-dimethylpropyl)-2-(trifluoromethyl)-1,3-thiazole

5-(2,2-dimethylpropyl)-2-(trifluoromethyl)-1,3-thiazole (PubChem CID 118516102) has the molecular formula C9H12F3NS and a molecular weight of 223.26 g/mol. Its IUPAC name is 5-(2,2-dimethylpropyl)-2-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name5-(2,2-dimethylpropyl)-2-(trifluoromethyl)-1,3-thiazole
PubChem CID118516102
Molecular FormulaC9H12F3NS
Molecular Weight223.26 g/mol
Exact Mass223.06
IUPAC Name5-(2,2-dimethylpropyl)-2-(trifluoromethyl)-1,3-thiazole
SMILESCC(C)(C)Cc1cnc(C(F)(F)F)s1
InChIInChI=1S/C9H12F3NS/c1-8(2,3)4-6-5-13-7(14-6)9(10,11)12/h5H,4H2,1-3H3
InChIKeyUNXJZGRFRGYCSG-UHFFFAOYSA-N
XLogP3.75
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.26
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-(2,2-dimethylpropyl)-2-(trifluoromethyl)-1,3-thiazole 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 5-(2,2-dimethylpropyl)-2-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 5-(2,2-dimethylpropyl)-2-(trifluoromethyl)-1,3-thiazole (CID 118516102) is 5-(2,2-dimethylpropyl)-2-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 5-(2,2-dimethylpropyl)-2-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 5-(2,2-dimethylpropyl)-2-(trifluoromethyl)-1,3-thiazole is CC(C)(C)Cc1cnc(C(F)(F)F)s1.
What is the InChIKey of 5-(2,2-dimethylpropyl)-2-(trifluoromethyl)-1,3-thiazole?
The InChIKey is UNXJZGRFRGYCSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3NS/c1-8(2,3)4-6-5-13-7(14-6)9(10,11)12/h5H,4H2,1-3H3.
What are the key properties of 5-(2,2-dimethylpropyl)-2-(trifluoromethyl)-1,3-thiazole?
5-(2,2-dimethylpropyl)-2-(trifluoromethyl)-1,3-thiazole has a molecular weight of 223.26 g/mol, XLogP of 3.75, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylpropyl)-2-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 118516102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).