2-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]propan-1-amine

C12H21N3S — CID 115089931

IUPAC2-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]propan-1-amine
SMILESCC(CN)c1cnc(C2CCN(C)CC2)s1
InChIInChI=1S/C12H21N3S/c1-9(7-13)11-8-14-12(16-11)10-3-5-15(2)6-4-10/h8-10H,3-7,13H2,1-2H3
InChIKeyJQQXGDDBBVKGDD-UHFFFAOYSA-N
MW239.39 g/mol
LogP2.01
Rot. Bonds3

About 2-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]propan-1-amine

2-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]propan-1-amine (PubChem CID 115089931) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is 2-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]propan-1-amine.

Molecular Properties

Compound Name2-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]propan-1-amine
PubChem CID115089931
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC Name2-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]propan-1-amine
SMILESCC(CN)c1cnc(C2CCN(C)CC2)s1
InChIInChI=1S/C12H21N3S/c1-9(7-13)11-8-14-12(16-11)10-3-5-15(2)6-4-10/h8-10H,3-7,13H2,1-2H3
InChIKeyJQQXGDDBBVKGDD-UHFFFAOYSA-N
XLogP2.01
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 ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]propan-1-amine 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-methylpiperidin-4-yl)-1,3-thiazol-5-yl]propan-1-amine?
The IUPAC name of 2-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]propan-1-amine (CID 115089931) is 2-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]propan-1-amine.
What is the SMILES notation for 2-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]propan-1-amine?
The canonical SMILES for 2-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]propan-1-amine is CC(CN)c1cnc(C2CCN(C)CC2)s1.
What is the InChIKey of 2-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]propan-1-amine?
The InChIKey is JQQXGDDBBVKGDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-9(7-13)11-8-14-12(16-11)10-3-5-15(2)6-4-10/h8-10H,3-7,13H2,1-2H3.
What are the key properties of 2-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]propan-1-amine?
2-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]propan-1-amine has a molecular weight of 239.39 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]propan-1-amine is sourced from PubChem (CID 115089931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).