N-[2-(4-hydroxypiperidin-1-yl)phenyl]-2-propyl-1,3-thiazole-5-carboxamide

C18H23N3O2S — CID 111462834

IUPACN-[2-(4-hydroxypiperidin-1-yl)phenyl]-2-propyl-1,3-thiazole-5-carboxamide
SMILESCCCc1ncc(C(=O)Nc2ccccc2N2CCC(O)CC2)s1
InChIInChI=1S/C18H23N3O2S/c1-2-5-17-19-12-16(24-17)18(23)20-14-6-3-4-7-15(14)21-10-8-13(22)9-11-21/h3-4,6-7,12-13,22H,2,5,8-11H2,1H3,(H,20,23)
InChIKeyRSGNWYOQEIWPMA-UHFFFAOYSA-N
MW345.47 g/mol
LogP3.31
Rot. Bonds5

About N-[2-(4-hydroxypiperidin-1-yl)phenyl]-2-propyl-1,3-thiazole-5-carboxamide

N-[2-(4-hydroxypiperidin-1-yl)phenyl]-2-propyl-1,3-thiazole-5-carboxamide (PubChem CID 111462834) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is N-[2-(4-hydroxypiperidin-1-yl)phenyl]-2-propyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(4-hydroxypiperidin-1-yl)phenyl]-2-propyl-1,3-thiazole-5-carboxamide
PubChem CID111462834
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC NameN-[2-(4-hydroxypiperidin-1-yl)phenyl]-2-propyl-1,3-thiazole-5-carboxamide
SMILESCCCc1ncc(C(=O)Nc2ccccc2N2CCC(O)CC2)s1
InChIInChI=1S/C18H23N3O2S/c1-2-5-17-19-12-16(24-17)18(23)20-14-6-3-4-7-15(14)21-10-8-13(22)9-11-21/h3-4,6-7,12-13,22H,2,5,8-11H2,1H3,(H,20,23)
InChIKeyRSGNWYOQEIWPMA-UHFFFAOYSA-N
XLogP3.31
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-(4-hydroxypiperidin-1-yl)phenyl]-2-propyl-1,3-thiazole-5-carboxamide 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 N-[2-(4-hydroxypiperidin-1-yl)phenyl]-2-propyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[2-(4-hydroxypiperidin-1-yl)phenyl]-2-propyl-1,3-thiazole-5-carboxamide (CID 111462834) is N-[2-(4-hydroxypiperidin-1-yl)phenyl]-2-propyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[2-(4-hydroxypiperidin-1-yl)phenyl]-2-propyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[2-(4-hydroxypiperidin-1-yl)phenyl]-2-propyl-1,3-thiazole-5-carboxamide is CCCc1ncc(C(=O)Nc2ccccc2N2CCC(O)CC2)s1.
What is the InChIKey of N-[2-(4-hydroxypiperidin-1-yl)phenyl]-2-propyl-1,3-thiazole-5-carboxamide?
The InChIKey is RSGNWYOQEIWPMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-2-5-17-19-12-16(24-17)18(23)20-14-6-3-4-7-15(14)21-10-8-13(22)9-11-21/h3-4,6-7,12-13,22H,2,5,8-11H2,1H3,(H,20,23).
What are the key properties of N-[2-(4-hydroxypiperidin-1-yl)phenyl]-2-propyl-1,3-thiazole-5-carboxamide?
N-[2-(4-hydroxypiperidin-1-yl)phenyl]-2-propyl-1,3-thiazole-5-carboxamide has a molecular weight of 345.47 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-hydroxypiperidin-1-yl)phenyl]-2-propyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 111462834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).