5-methyl-2-[5-methyl-5-(trifluoromethyl)cyclohepta-1,3,6-trien-1-yl]-1,3-thiazole

C13H12F3NS — CID 142277217

IUPAC5-methyl-2-[5-methyl-5-(trifluoromethyl)cyclohepta-1,3,6-trien-1-yl]-1,3-thiazole
SMILESCc1cnc(C2=CC=CC(C)(C(F)(F)F)C=C2)s1
InChIInChI=1S/C13H12F3NS/c1-9-8-17-11(18-9)10-4-3-6-12(2,7-5-10)13(14,15)16/h3-8H,1-2H3
InChIKeyWVKBYMDKUXQKTB-UHFFFAOYSA-N
MW271.31 g/mol
LogP4.53
Rot. Bonds1

About 5-methyl-2-[5-methyl-5-(trifluoromethyl)cyclohepta-1,3,6-trien-1-yl]-1,3-thiazole

5-methyl-2-[5-methyl-5-(trifluoromethyl)cyclohepta-1,3,6-trien-1-yl]-1,3-thiazole (PubChem CID 142277217) has the molecular formula C13H12F3NS and a molecular weight of 271.31 g/mol. Its IUPAC name is 5-methyl-2-[5-methyl-5-(trifluoromethyl)cyclohepta-1,3,6-trien-1-yl]-1,3-thiazole.

Molecular Properties

Compound Name5-methyl-2-[5-methyl-5-(trifluoromethyl)cyclohepta-1,3,6-trien-1-yl]-1,3-thiazole
PubChem CID142277217
Molecular FormulaC13H12F3NS
Molecular Weight271.31 g/mol
Exact Mass271.06
IUPAC Name5-methyl-2-[5-methyl-5-(trifluoromethyl)cyclohepta-1,3,6-trien-1-yl]-1,3-thiazole
SMILESCc1cnc(C2=CC=CC(C)(C(F)(F)F)C=C2)s1
InChIInChI=1S/C13H12F3NS/c1-9-8-17-11(18-9)10-4-3-6-12(2,7-5-10)13(14,15)16/h3-8H,1-2H3
InChIKeyWVKBYMDKUXQKTB-UHFFFAOYSA-N
XLogP4.53
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-methyl-2-[5-methyl-5-(trifluoromethyl)cyclohepta-1,3,6-trien-1-yl]-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-methyl-2-[5-methyl-5-(trifluoromethyl)cyclohepta-1,3,6-trien-1-yl]-1,3-thiazole?
The IUPAC name of 5-methyl-2-[5-methyl-5-(trifluoromethyl)cyclohepta-1,3,6-trien-1-yl]-1,3-thiazole (CID 142277217) is 5-methyl-2-[5-methyl-5-(trifluoromethyl)cyclohepta-1,3,6-trien-1-yl]-1,3-thiazole.
What is the SMILES notation for 5-methyl-2-[5-methyl-5-(trifluoromethyl)cyclohepta-1,3,6-trien-1-yl]-1,3-thiazole?
The canonical SMILES for 5-methyl-2-[5-methyl-5-(trifluoromethyl)cyclohepta-1,3,6-trien-1-yl]-1,3-thiazole is Cc1cnc(C2=CC=CC(C)(C(F)(F)F)C=C2)s1.
What is the InChIKey of 5-methyl-2-[5-methyl-5-(trifluoromethyl)cyclohepta-1,3,6-trien-1-yl]-1,3-thiazole?
The InChIKey is WVKBYMDKUXQKTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3NS/c1-9-8-17-11(18-9)10-4-3-6-12(2,7-5-10)13(14,15)16/h3-8H,1-2H3.
What are the key properties of 5-methyl-2-[5-methyl-5-(trifluoromethyl)cyclohepta-1,3,6-trien-1-yl]-1,3-thiazole?
5-methyl-2-[5-methyl-5-(trifluoromethyl)cyclohepta-1,3,6-trien-1-yl]-1,3-thiazole has a molecular weight of 271.31 g/mol, XLogP of 4.53, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[5-methyl-5-(trifluoromethyl)cyclohepta-1,3,6-trien-1-yl]-1,3-thiazole is sourced from PubChem (CID 142277217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).