N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(4-hydroxypiperidin-1-yl)-2-phenylacetamide

C23H24ClN3O2S — CID 58033163

IUPACN-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(4-hydroxypiperidin-1-yl)-2-phenylacetamide
SMILESO=C(Nc1ncc(Cc2ccccc2Cl)s1)C(c1ccccc1)N1CCC(O)CC1
InChIInChI=1S/C23H24ClN3O2S/c24-20-9-5-4-8-17(20)14-19-15-25-23(30-19)26-22(29)21(16-6-2-1-3-7-16)27-12-10-18(28)11-13-27/h1-9,15,18,21,28H,10-14H2,(H,25,26,29)
InChIKeyQMFNCXBVSPDSHS-UHFFFAOYSA-N
MW441.98 g/mol
LogP4.52
Rot. Bonds6

About N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(4-hydroxypiperidin-1-yl)-2-phenylacetamide

N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(4-hydroxypiperidin-1-yl)-2-phenylacetamide (PubChem CID 58033163) has the molecular formula C23H24ClN3O2S and a molecular weight of 441.98 g/mol. Its IUPAC name is N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(4-hydroxypiperidin-1-yl)-2-phenylacetamide.

Molecular Properties

Compound NameN-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(4-hydroxypiperidin-1-yl)-2-phenylacetamide
PubChem CID58033163
Molecular FormulaC23H24ClN3O2S
Molecular Weight441.98 g/mol
Exact Mass441.13
IUPAC NameN-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(4-hydroxypiperidin-1-yl)-2-phenylacetamide
SMILESO=C(Nc1ncc(Cc2ccccc2Cl)s1)C(c1ccccc1)N1CCC(O)CC1
InChIInChI=1S/C23H24ClN3O2S/c24-20-9-5-4-8-17(20)14-19-15-25-23(30-19)26-22(29)21(16-6-2-1-3-7-16)27-12-10-18(28)11-13-27/h1-9,15,18,21,28H,10-14H2,(H,25,26,29)
InChIKeyQMFNCXBVSPDSHS-UHFFFAOYSA-N
XLogP4.52
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.98
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(4-hydroxypiperidin-1-yl)-2-phenylacetamide 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-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(4-hydroxypiperidin-1-yl)-2-phenylacetamide?
The IUPAC name of N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(4-hydroxypiperidin-1-yl)-2-phenylacetamide (CID 58033163) is N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(4-hydroxypiperidin-1-yl)-2-phenylacetamide.
What is the SMILES notation for N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(4-hydroxypiperidin-1-yl)-2-phenylacetamide?
The canonical SMILES for N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(4-hydroxypiperidin-1-yl)-2-phenylacetamide is O=C(Nc1ncc(Cc2ccccc2Cl)s1)C(c1ccccc1)N1CCC(O)CC1.
What is the InChIKey of N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(4-hydroxypiperidin-1-yl)-2-phenylacetamide?
The InChIKey is QMFNCXBVSPDSHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O2S/c24-20-9-5-4-8-17(20)14-19-15-25-23(30-19)26-22(29)21(16-6-2-1-3-7-16)27-12-10-18(28)11-13-27/h1-9,15,18,21,28H,10-14H2,(H,25,26,29).
What are the key properties of N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(4-hydroxypiperidin-1-yl)-2-phenylacetamide?
N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(4-hydroxypiperidin-1-yl)-2-phenylacetamide has a molecular weight of 441.98 g/mol, XLogP of 4.52, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(4-hydroxypiperidin-1-yl)-2-phenylacetamide is sourced from PubChem (CID 58033163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).