5-ethenyl-2-(trifluoromethyl)-1,3-thiazole;3-methylazetidine

C10H13F3N2S — CID 171092940

IUPAC5-ethenyl-2-(trifluoromethyl)-1,3-thiazole;3-methylazetidine
SMILESC=Cc1cnc(C(F)(F)F)s1.CC1CNC1
InChIInChI=1S/C6H4F3NS.C4H9N/c1-2-4-3-10-5(11-4)6(7,8)9;1-4-2-5-3-4/h2-3H,1H2;4-5H,2-3H2,1H3
InChIKeyTUHLKULLJQRXPB-UHFFFAOYSA-N
MW250.29 g/mol
LogP3.03
Rot. Bonds1

About 5-ethenyl-2-(trifluoromethyl)-1,3-thiazole;3-methylazetidine

5-ethenyl-2-(trifluoromethyl)-1,3-thiazole;3-methylazetidine (PubChem CID 171092940) has the molecular formula C10H13F3N2S and a molecular weight of 250.29 g/mol. Its IUPAC name is 5-ethenyl-2-(trifluoromethyl)-1,3-thiazole;3-methylazetidine.

Molecular Properties

Compound Name5-ethenyl-2-(trifluoromethyl)-1,3-thiazole;3-methylazetidine
PubChem CID171092940
Molecular FormulaC10H13F3N2S
Molecular Weight250.29 g/mol
Exact Mass250.08
IUPAC Name5-ethenyl-2-(trifluoromethyl)-1,3-thiazole;3-methylazetidine
SMILESC=Cc1cnc(C(F)(F)F)s1.CC1CNC1
InChIInChI=1S/C6H4F3NS.C4H9N/c1-2-4-3-10-5(11-4)6(7,8)9;1-4-2-5-3-4/h2-3H,1H2;4-5H,2-3H2,1H3
InChIKeyTUHLKULLJQRXPB-UHFFFAOYSA-N
XLogP3.03
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-ethenyl-2-(trifluoromethyl)-1,3-thiazole;3-methylazetidine 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-ethenyl-2-(trifluoromethyl)-1,3-thiazole;3-methylazetidine?
The IUPAC name of 5-ethenyl-2-(trifluoromethyl)-1,3-thiazole;3-methylazetidine (CID 171092940) is 5-ethenyl-2-(trifluoromethyl)-1,3-thiazole;3-methylazetidine.
What is the SMILES notation for 5-ethenyl-2-(trifluoromethyl)-1,3-thiazole;3-methylazetidine?
The canonical SMILES for 5-ethenyl-2-(trifluoromethyl)-1,3-thiazole;3-methylazetidine is C=Cc1cnc(C(F)(F)F)s1.CC1CNC1.
What is the InChIKey of 5-ethenyl-2-(trifluoromethyl)-1,3-thiazole;3-methylazetidine?
The InChIKey is TUHLKULLJQRXPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F3NS.C4H9N/c1-2-4-3-10-5(11-4)6(7,8)9;1-4-2-5-3-4/h2-3H,1H2;4-5H,2-3H2,1H3.
What are the key properties of 5-ethenyl-2-(trifluoromethyl)-1,3-thiazole;3-methylazetidine?
5-ethenyl-2-(trifluoromethyl)-1,3-thiazole;3-methylazetidine has a molecular weight of 250.29 g/mol, XLogP of 3.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-2-(trifluoromethyl)-1,3-thiazole;3-methylazetidine is sourced from PubChem (CID 171092940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).