5-ethenyl-2-(2-pyrrolidin-1-ylethyl)-4-(trifluoromethyl)-1,3-thiazole

C12H15F3N2S — CID 142920662

IUPAC5-ethenyl-2-(2-pyrrolidin-1-ylethyl)-4-(trifluoromethyl)-1,3-thiazole
SMILESC=Cc1sc(CCN2CCCC2)nc1C(F)(F)F
InChIInChI=1S/C12H15F3N2S/c1-2-9-11(12(13,14)15)16-10(18-9)5-8-17-6-3-4-7-17/h2H,1,3-8H2
InChIKeyMRAXOMUQAYCXOL-UHFFFAOYSA-N
MW276.33 g/mol
LogP3.44
Rot. Bonds4

About 5-ethenyl-2-(2-pyrrolidin-1-ylethyl)-4-(trifluoromethyl)-1,3-thiazole

5-ethenyl-2-(2-pyrrolidin-1-ylethyl)-4-(trifluoromethyl)-1,3-thiazole (PubChem CID 142920662) has the molecular formula C12H15F3N2S and a molecular weight of 276.33 g/mol. Its IUPAC name is 5-ethenyl-2-(2-pyrrolidin-1-ylethyl)-4-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name5-ethenyl-2-(2-pyrrolidin-1-ylethyl)-4-(trifluoromethyl)-1,3-thiazole
PubChem CID142920662
Molecular FormulaC12H15F3N2S
Molecular Weight276.33 g/mol
Exact Mass276.09
IUPAC Name5-ethenyl-2-(2-pyrrolidin-1-ylethyl)-4-(trifluoromethyl)-1,3-thiazole
SMILESC=Cc1sc(CCN2CCCC2)nc1C(F)(F)F
InChIInChI=1S/C12H15F3N2S/c1-2-9-11(12(13,14)15)16-10(18-9)5-8-17-6-3-4-7-17/h2H,1,3-8H2
InChIKeyMRAXOMUQAYCXOL-UHFFFAOYSA-N
XLogP3.44
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-ethenyl-2-(2-pyrrolidin-1-ylethyl)-4-(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-ethenyl-2-(2-pyrrolidin-1-ylethyl)-4-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 5-ethenyl-2-(2-pyrrolidin-1-ylethyl)-4-(trifluoromethyl)-1,3-thiazole (CID 142920662) is 5-ethenyl-2-(2-pyrrolidin-1-ylethyl)-4-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 5-ethenyl-2-(2-pyrrolidin-1-ylethyl)-4-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 5-ethenyl-2-(2-pyrrolidin-1-ylethyl)-4-(trifluoromethyl)-1,3-thiazole is C=Cc1sc(CCN2CCCC2)nc1C(F)(F)F.
What is the InChIKey of 5-ethenyl-2-(2-pyrrolidin-1-ylethyl)-4-(trifluoromethyl)-1,3-thiazole?
The InChIKey is MRAXOMUQAYCXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2S/c1-2-9-11(12(13,14)15)16-10(18-9)5-8-17-6-3-4-7-17/h2H,1,3-8H2.
What are the key properties of 5-ethenyl-2-(2-pyrrolidin-1-ylethyl)-4-(trifluoromethyl)-1,3-thiazole?
5-ethenyl-2-(2-pyrrolidin-1-ylethyl)-4-(trifluoromethyl)-1,3-thiazole has a molecular weight of 276.33 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-2-(2-pyrrolidin-1-ylethyl)-4-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 142920662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).