ethane;5-methyl-3-(trifluoromethyl)-1,2-thiazole

C7H10F3NS — CID 164541525

IUPACethane;5-methyl-3-(trifluoromethyl)-1,2-thiazole
SMILESCC.Cc1cc(C(F)(F)F)ns1
InChIInChI=1S/C5H4F3NS.C2H6/c1-3-2-4(9-10-3)5(6,7)8;1-2/h2H,1H3;1-2H3
InChIKeyUMOAJABKXALEDE-UHFFFAOYSA-N
MW197.22 g/mol
LogP3.50
Rot. Bonds

About ethane;5-methyl-3-(trifluoromethyl)-1,2-thiazole

ethane;5-methyl-3-(trifluoromethyl)-1,2-thiazole (PubChem CID 164541525) has the molecular formula C7H10F3NS and a molecular weight of 197.22 g/mol. Its IUPAC name is ethane;5-methyl-3-(trifluoromethyl)-1,2-thiazole.

Molecular Properties

Compound Nameethane;5-methyl-3-(trifluoromethyl)-1,2-thiazole
PubChem CID164541525
Molecular FormulaC7H10F3NS
Molecular Weight197.22 g/mol
Exact Mass197.05
IUPAC Nameethane;5-methyl-3-(trifluoromethyl)-1,2-thiazole
SMILESCC.Cc1cc(C(F)(F)F)ns1
InChIInChI=1S/C5H4F3NS.C2H6/c1-3-2-4(9-10-3)5(6,7)8;1-2/h2H,1H3;1-2H3
InChIKeyUMOAJABKXALEDE-UHFFFAOYSA-N
XLogP3.50
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.22
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze ethane;5-methyl-3-(trifluoromethyl)-1,2-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 ethane;5-methyl-3-(trifluoromethyl)-1,2-thiazole?
The IUPAC name of ethane;5-methyl-3-(trifluoromethyl)-1,2-thiazole (CID 164541525) is ethane;5-methyl-3-(trifluoromethyl)-1,2-thiazole.
What is the SMILES notation for ethane;5-methyl-3-(trifluoromethyl)-1,2-thiazole?
The canonical SMILES for ethane;5-methyl-3-(trifluoromethyl)-1,2-thiazole is CC.Cc1cc(C(F)(F)F)ns1.
What is the InChIKey of ethane;5-methyl-3-(trifluoromethyl)-1,2-thiazole?
The InChIKey is UMOAJABKXALEDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F3NS.C2H6/c1-3-2-4(9-10-3)5(6,7)8;1-2/h2H,1H3;1-2H3.
What are the key properties of ethane;5-methyl-3-(trifluoromethyl)-1,2-thiazole?
ethane;5-methyl-3-(trifluoromethyl)-1,2-thiazole has a molecular weight of 197.22 g/mol, XLogP of 3.50, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methyl-3-(trifluoromethyl)-1,2-thiazole is sourced from PubChem (CID 164541525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).