4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[3-[(3S)-3-hydroxypiperidin-1-yl]propyl]benzamide

C20H27N3O2S — CID 126450952

IUPAC4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[3-[(3S)-3-hydroxypiperidin-1-yl]propyl]benzamide
SMILESCc1nc(C)c(-c2ccc(C(=O)NCCCN3CCC[C@H](O)C3)cc2)s1
InChIInChI=1S/C20H27N3O2S/c1-14-19(26-15(2)22-14)16-6-8-17(9-7-16)20(25)21-10-4-12-23-11-3-5-18(24)13-23/h6-9,18,24H,3-5,10-13H2,1-2H3,(H,21,25)/t18-/m0/s1
InChIKeyRTGMEHMFSSFISU-SFHVURJKSA-N
MW373.52 g/mol
LogP3.00
Rot. Bonds6

About 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[3-[(3S)-3-hydroxypiperidin-1-yl]propyl]benzamide

4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[3-[(3S)-3-hydroxypiperidin-1-yl]propyl]benzamide (PubChem CID 126450952) has the molecular formula C20H27N3O2S and a molecular weight of 373.52 g/mol. Its IUPAC name is 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[3-[(3S)-3-hydroxypiperidin-1-yl]propyl]benzamide.

Molecular Properties

Compound Name4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[3-[(3S)-3-hydroxypiperidin-1-yl]propyl]benzamide
PubChem CID126450952
Molecular FormulaC20H27N3O2S
Molecular Weight373.52 g/mol
Exact Mass373.18
IUPAC Name4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[3-[(3S)-3-hydroxypiperidin-1-yl]propyl]benzamide
SMILESCc1nc(C)c(-c2ccc(C(=O)NCCCN3CCC[C@H](O)C3)cc2)s1
InChIInChI=1S/C20H27N3O2S/c1-14-19(26-15(2)22-14)16-6-8-17(9-7-16)20(25)21-10-4-12-23-11-3-5-18(24)13-23/h6-9,18,24H,3-5,10-13H2,1-2H3,(H,21,25)/t18-/m0/s1
InChIKeyRTGMEHMFSSFISU-SFHVURJKSA-N
XLogP3.00
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.52
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[3-[(3S)-3-hydroxypiperidin-1-yl]propyl]benzamide 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 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[3-[(3S)-3-hydroxypiperidin-1-yl]propyl]benzamide?
The IUPAC name of 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[3-[(3S)-3-hydroxypiperidin-1-yl]propyl]benzamide (CID 126450952) is 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[3-[(3S)-3-hydroxypiperidin-1-yl]propyl]benzamide.
What is the SMILES notation for 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[3-[(3S)-3-hydroxypiperidin-1-yl]propyl]benzamide?
The canonical SMILES for 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[3-[(3S)-3-hydroxypiperidin-1-yl]propyl]benzamide is Cc1nc(C)c(-c2ccc(C(=O)NCCCN3CCC[C@H](O)C3)cc2)s1.
What is the InChIKey of 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[3-[(3S)-3-hydroxypiperidin-1-yl]propyl]benzamide?
The InChIKey is RTGMEHMFSSFISU-SFHVURJKSA-N. The full InChI is InChI=1S/C20H27N3O2S/c1-14-19(26-15(2)22-14)16-6-8-17(9-7-16)20(25)21-10-4-12-23-11-3-5-18(24)13-23/h6-9,18,24H,3-5,10-13H2,1-2H3,(H,21,25)/t18-/m0/s1.
What are the key properties of 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[3-[(3S)-3-hydroxypiperidin-1-yl]propyl]benzamide?
4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[3-[(3S)-3-hydroxypiperidin-1-yl]propyl]benzamide has a molecular weight of 373.52 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[3-[(3S)-3-hydroxypiperidin-1-yl]propyl]benzamide is sourced from PubChem (CID 126450952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).