3-(2-methylpiperidin-1-yl)-N-[(5-phenyl-1,3-thiazol-2-yl)methyl]propan-1-amine

C19H27N3S — CID 59772997

IUPAC3-(2-methylpiperidin-1-yl)-N-[(5-phenyl-1,3-thiazol-2-yl)methyl]propan-1-amine
SMILESCC1CCCCN1CCCNCc1ncc(-c2ccccc2)s1
InChIInChI=1S/C19H27N3S/c1-16-8-5-6-12-22(16)13-7-11-20-15-19-21-14-18(23-19)17-9-3-2-4-10-17/h2-4,9-10,14,16,20H,5-8,11-13,15H2,1H3
InChIKeyHTZGURJZAANDFR-UHFFFAOYSA-N
MW329.51 g/mol
LogP4.16
Rot. Bonds7

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

3-(2-methylpiperidin-1-yl)-N-[(5-phenyl-1,3-thiazol-2-yl)methyl]propan-1-amine (PubChem CID 59772997) has the molecular formula C19H27N3S and a molecular weight of 329.51 g/mol. Its IUPAC name is 3-(2-methylpiperidin-1-yl)-N-[(5-phenyl-1,3-thiazol-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-(2-methylpiperidin-1-yl)-N-[(5-phenyl-1,3-thiazol-2-yl)methyl]propan-1-amine
PubChem CID59772997
Molecular FormulaC19H27N3S
Molecular Weight329.51 g/mol
Exact Mass329.19
IUPAC Name3-(2-methylpiperidin-1-yl)-N-[(5-phenyl-1,3-thiazol-2-yl)methyl]propan-1-amine
SMILESCC1CCCCN1CCCNCc1ncc(-c2ccccc2)s1
InChIInChI=1S/C19H27N3S/c1-16-8-5-6-12-22(16)13-7-11-20-15-19-21-14-18(23-19)17-9-3-2-4-10-17/h2-4,9-10,14,16,20H,5-8,11-13,15H2,1H3
InChIKeyHTZGURJZAANDFR-UHFFFAOYSA-N
XLogP4.16
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.51
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-(2-methylpiperidin-1-yl)-N-[(5-phenyl-1,3-thiazol-2-yl)methyl]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 3-(2-methylpiperidin-1-yl)-N-[(5-phenyl-1,3-thiazol-2-yl)methyl]propan-1-amine?
The IUPAC name of 3-(2-methylpiperidin-1-yl)-N-[(5-phenyl-1,3-thiazol-2-yl)methyl]propan-1-amine (CID 59772997) is 3-(2-methylpiperidin-1-yl)-N-[(5-phenyl-1,3-thiazol-2-yl)methyl]propan-1-amine.
What is the SMILES notation for 3-(2-methylpiperidin-1-yl)-N-[(5-phenyl-1,3-thiazol-2-yl)methyl]propan-1-amine?
The canonical SMILES for 3-(2-methylpiperidin-1-yl)-N-[(5-phenyl-1,3-thiazol-2-yl)methyl]propan-1-amine is CC1CCCCN1CCCNCc1ncc(-c2ccccc2)s1.
What is the InChIKey of 3-(2-methylpiperidin-1-yl)-N-[(5-phenyl-1,3-thiazol-2-yl)methyl]propan-1-amine?
The InChIKey is HTZGURJZAANDFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3S/c1-16-8-5-6-12-22(16)13-7-11-20-15-19-21-14-18(23-19)17-9-3-2-4-10-17/h2-4,9-10,14,16,20H,5-8,11-13,15H2,1H3.
What are the key properties of 3-(2-methylpiperidin-1-yl)-N-[(5-phenyl-1,3-thiazol-2-yl)methyl]propan-1-amine?
3-(2-methylpiperidin-1-yl)-N-[(5-phenyl-1,3-thiazol-2-yl)methyl]propan-1-amine has a molecular weight of 329.51 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpiperidin-1-yl)-N-[(5-phenyl-1,3-thiazol-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 59772997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).