3-(4-methylpiperidin-1-yl)-N-(1,3-thiazol-2-yl)propanamide

C12H19N3OS — CID 574554

IUPAC3-(4-methylpiperidin-1-yl)-N-(1,3-thiazol-2-yl)propanamide
SMILESCC1CCN(CCC(=O)Nc2nccs2)CC1
InChIInChI=1S/C12H19N3OS/c1-10-2-6-15(7-3-10)8-4-11(16)14-12-13-5-9-17-12/h5,9-10H,2-4,6-8H2,1H3,(H,13,14,16)
InChIKeyWNGPTZLZKGJFNN-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.20
Rot. Bonds4

About 3-(4-methylpiperidin-1-yl)-N-(1,3-thiazol-2-yl)propanamide

3-(4-methylpiperidin-1-yl)-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 574554) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is 3-(4-methylpiperidin-1-yl)-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-(4-methylpiperidin-1-yl)-N-(1,3-thiazol-2-yl)propanamide
PubChem CID574554
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name3-(4-methylpiperidin-1-yl)-N-(1,3-thiazol-2-yl)propanamide
SMILESCC1CCN(CCC(=O)Nc2nccs2)CC1
InChIInChI=1S/C12H19N3OS/c1-10-2-6-15(7-3-10)8-4-11(16)14-12-13-5-9-17-12/h5,9-10H,2-4,6-8H2,1H3,(H,13,14,16)
InChIKeyWNGPTZLZKGJFNN-UHFFFAOYSA-N
XLogP2.20
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(4-methylpiperidin-1-yl)-N-(1,3-thiazol-2-yl)propanamide 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-(4-methylpiperidin-1-yl)-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 3-(4-methylpiperidin-1-yl)-N-(1,3-thiazol-2-yl)propanamide (CID 574554) is 3-(4-methylpiperidin-1-yl)-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 3-(4-methylpiperidin-1-yl)-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 3-(4-methylpiperidin-1-yl)-N-(1,3-thiazol-2-yl)propanamide is CC1CCN(CCC(=O)Nc2nccs2)CC1.
What is the InChIKey of 3-(4-methylpiperidin-1-yl)-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is WNGPTZLZKGJFNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-10-2-6-15(7-3-10)8-4-11(16)14-12-13-5-9-17-12/h5,9-10H,2-4,6-8H2,1H3,(H,13,14,16).
What are the key properties of 3-(4-methylpiperidin-1-yl)-N-(1,3-thiazol-2-yl)propanamide?
3-(4-methylpiperidin-1-yl)-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 253.37 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperidin-1-yl)-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 574554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).