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

C12H21N3S — CID 116885347

IUPAC2-[4-(2,4-dimethyl-1,3-thiazol-5-yl)piperidin-1-yl]ethanamine
SMILESCc1nc(C)c(C2CCN(CCN)CC2)s1
InChIInChI=1S/C12H21N3S/c1-9-12(16-10(2)14-9)11-3-6-15(7-4-11)8-5-13/h11H,3-8,13H2,1-2H3
InChIKeyOPKOGLWVKNQKDS-UHFFFAOYSA-N
MW239.39 g/mol
LogP1.90
Rot. Bonds3

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

2-[4-(2,4-dimethyl-1,3-thiazol-5-yl)piperidin-1-yl]ethanamine (PubChem CID 116885347) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is 2-[4-(2,4-dimethyl-1,3-thiazol-5-yl)piperidin-1-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(2,4-dimethyl-1,3-thiazol-5-yl)piperidin-1-yl]ethanamine
PubChem CID116885347
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC Name2-[4-(2,4-dimethyl-1,3-thiazol-5-yl)piperidin-1-yl]ethanamine
SMILESCc1nc(C)c(C2CCN(CCN)CC2)s1
InChIInChI=1S/C12H21N3S/c1-9-12(16-10(2)14-9)11-3-6-15(7-4-11)8-5-13/h11H,3-8,13H2,1-2H3
InChIKeyOPKOGLWVKNQKDS-UHFFFAOYSA-N
XLogP1.90
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-(2,4-dimethyl-1,3-thiazol-5-yl)piperidin-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-[4-(2,4-dimethyl-1,3-thiazol-5-yl)piperidin-1-yl]ethanamine?
The IUPAC name of 2-[4-(2,4-dimethyl-1,3-thiazol-5-yl)piperidin-1-yl]ethanamine (CID 116885347) is 2-[4-(2,4-dimethyl-1,3-thiazol-5-yl)piperidin-1-yl]ethanamine.
What is the SMILES notation for 2-[4-(2,4-dimethyl-1,3-thiazol-5-yl)piperidin-1-yl]ethanamine?
The canonical SMILES for 2-[4-(2,4-dimethyl-1,3-thiazol-5-yl)piperidin-1-yl]ethanamine is Cc1nc(C)c(C2CCN(CCN)CC2)s1.
What is the InChIKey of 2-[4-(2,4-dimethyl-1,3-thiazol-5-yl)piperidin-1-yl]ethanamine?
The InChIKey is OPKOGLWVKNQKDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-9-12(16-10(2)14-9)11-3-6-15(7-4-11)8-5-13/h11H,3-8,13H2,1-2H3.
What are the key properties of 2-[4-(2,4-dimethyl-1,3-thiazol-5-yl)piperidin-1-yl]ethanamine?
2-[4-(2,4-dimethyl-1,3-thiazol-5-yl)piperidin-1-yl]ethanamine has a molecular weight of 239.39 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,4-dimethyl-1,3-thiazol-5-yl)piperidin-1-yl]ethanamine is sourced from PubChem (CID 116885347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).