2-[2-(1-ethylpiperidin-4-yl)-1,3-thiazol-5-yl]ethanamine

C12H21N3S — CID 115089977

IUPAC2-[2-(1-ethylpiperidin-4-yl)-1,3-thiazol-5-yl]ethanamine
SMILESCCN1CCC(c2ncc(CCN)s2)CC1
InChIInChI=1S/C12H21N3S/c1-2-15-7-4-10(5-8-15)12-14-9-11(16-12)3-6-13/h9-10H,2-8,13H2,1H3
InChIKeyDAAKNHSGTDFIMK-UHFFFAOYSA-N
MW239.39 g/mol
LogP1.84
Rot. Bonds4

About 2-[2-(1-ethylpiperidin-4-yl)-1,3-thiazol-5-yl]ethanamine

2-[2-(1-ethylpiperidin-4-yl)-1,3-thiazol-5-yl]ethanamine (PubChem CID 115089977) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is 2-[2-(1-ethylpiperidin-4-yl)-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[2-(1-ethylpiperidin-4-yl)-1,3-thiazol-5-yl]ethanamine
PubChem CID115089977
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC Name2-[2-(1-ethylpiperidin-4-yl)-1,3-thiazol-5-yl]ethanamine
SMILESCCN1CCC(c2ncc(CCN)s2)CC1
InChIInChI=1S/C12H21N3S/c1-2-15-7-4-10(5-8-15)12-14-9-11(16-12)3-6-13/h9-10H,2-8,13H2,1H3
InChIKeyDAAKNHSGTDFIMK-UHFFFAOYSA-N
XLogP1.84
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[2-(1-ethylpiperidin-4-yl)-1,3-thiazol-5-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-[2-(1-ethylpiperidin-4-yl)-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of 2-[2-(1-ethylpiperidin-4-yl)-1,3-thiazol-5-yl]ethanamine (CID 115089977) is 2-[2-(1-ethylpiperidin-4-yl)-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for 2-[2-(1-ethylpiperidin-4-yl)-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for 2-[2-(1-ethylpiperidin-4-yl)-1,3-thiazol-5-yl]ethanamine is CCN1CCC(c2ncc(CCN)s2)CC1.
What is the InChIKey of 2-[2-(1-ethylpiperidin-4-yl)-1,3-thiazol-5-yl]ethanamine?
The InChIKey is DAAKNHSGTDFIMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-2-15-7-4-10(5-8-15)12-14-9-11(16-12)3-6-13/h9-10H,2-8,13H2,1H3.
What are the key properties of 2-[2-(1-ethylpiperidin-4-yl)-1,3-thiazol-5-yl]ethanamine?
2-[2-(1-ethylpiperidin-4-yl)-1,3-thiazol-5-yl]ethanamine has a molecular weight of 239.39 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-ethylpiperidin-4-yl)-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 115089977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).