2-(5-methylthiophen-2-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine

C13H20F3N3S — CID 43173287

IUPAC2-(5-methylthiophen-2-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine
SMILESCc1ccc(C(CN)N2CCN(CC(F)(F)F)CC2)s1
InChIInChI=1S/C13H20F3N3S/c1-10-2-3-12(20-10)11(8-17)19-6-4-18(5-7-19)9-13(14,15)16/h2-3,11H,4-9,17H2,1H3
InChIKeyONJYVQSCDVYVGC-UHFFFAOYSA-N
MW307.38 g/mol
LogP2.24
Rot. Bonds4

About 2-(5-methylthiophen-2-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine

2-(5-methylthiophen-2-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine (PubChem CID 43173287) has the molecular formula C13H20F3N3S and a molecular weight of 307.38 g/mol. Its IUPAC name is 2-(5-methylthiophen-2-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine.

Molecular Properties

Compound Name2-(5-methylthiophen-2-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine
PubChem CID43173287
Molecular FormulaC13H20F3N3S
Molecular Weight307.38 g/mol
Exact Mass307.13
IUPAC Name2-(5-methylthiophen-2-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine
SMILESCc1ccc(C(CN)N2CCN(CC(F)(F)F)CC2)s1
InChIInChI=1S/C13H20F3N3S/c1-10-2-3-12(20-10)11(8-17)19-6-4-18(5-7-19)9-13(14,15)16/h2-3,11H,4-9,17H2,1H3
InChIKeyONJYVQSCDVYVGC-UHFFFAOYSA-N
XLogP2.24
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(5-methylthiophen-2-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine 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 2-(5-methylthiophen-2-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine?
The IUPAC name of 2-(5-methylthiophen-2-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine (CID 43173287) is 2-(5-methylthiophen-2-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine.
What is the SMILES notation for 2-(5-methylthiophen-2-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine?
The canonical SMILES for 2-(5-methylthiophen-2-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine is Cc1ccc(C(CN)N2CCN(CC(F)(F)F)CC2)s1.
What is the InChIKey of 2-(5-methylthiophen-2-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine?
The InChIKey is ONJYVQSCDVYVGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N3S/c1-10-2-3-12(20-10)11(8-17)19-6-4-18(5-7-19)9-13(14,15)16/h2-3,11H,4-9,17H2,1H3.
What are the key properties of 2-(5-methylthiophen-2-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine?
2-(5-methylthiophen-2-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine has a molecular weight of 307.38 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylthiophen-2-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine is sourced from PubChem (CID 43173287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).