N-[4-(4-benzylpiperazin-1-yl)-4-phenyl-5H-1,3-thiazol-2-yl]propanamide

C23H28N4OS — CID 162513569

IUPACN-[4-(4-benzylpiperazin-1-yl)-4-phenyl-5H-1,3-thiazol-2-yl]propanamide
SMILESCCC(=O)NC1=NC(c2ccccc2)(N2CCN(Cc3ccccc3)CC2)CS1
InChIInChI=1S/C23H28N4OS/c1-2-21(28)24-22-25-23(18-29-22,20-11-7-4-8-12-20)27-15-13-26(14-16-27)17-19-9-5-3-6-10-19/h3-12H,2,13-18H2,1H3,(H,24,25,28)
InChIKeyPUEUXOGBTVOLFU-UHFFFAOYSA-N
MW408.57 g/mol
LogP3.29
Rot. Bonds5

About N-[4-(4-benzylpiperazin-1-yl)-4-phenyl-5H-1,3-thiazol-2-yl]propanamide

N-[4-(4-benzylpiperazin-1-yl)-4-phenyl-5H-1,3-thiazol-2-yl]propanamide (PubChem CID 162513569) has the molecular formula C23H28N4OS and a molecular weight of 408.57 g/mol. Its IUPAC name is N-[4-(4-benzylpiperazin-1-yl)-4-phenyl-5H-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound NameN-[4-(4-benzylpiperazin-1-yl)-4-phenyl-5H-1,3-thiazol-2-yl]propanamide
PubChem CID162513569
Molecular FormulaC23H28N4OS
Molecular Weight408.57 g/mol
Exact Mass408.20
IUPAC NameN-[4-(4-benzylpiperazin-1-yl)-4-phenyl-5H-1,3-thiazol-2-yl]propanamide
SMILESCCC(=O)NC1=NC(c2ccccc2)(N2CCN(Cc3ccccc3)CC2)CS1
InChIInChI=1S/C23H28N4OS/c1-2-21(28)24-22-25-23(18-29-22,20-11-7-4-8-12-20)27-15-13-26(14-16-27)17-19-9-5-3-6-10-19/h3-12H,2,13-18H2,1H3,(H,24,25,28)
InChIKeyPUEUXOGBTVOLFU-UHFFFAOYSA-N
XLogP3.29
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.57
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-(4-benzylpiperazin-1-yl)-4-phenyl-5H-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 N-[4-(4-benzylpiperazin-1-yl)-4-phenyl-5H-1,3-thiazol-2-yl]propanamide?
The IUPAC name of N-[4-(4-benzylpiperazin-1-yl)-4-phenyl-5H-1,3-thiazol-2-yl]propanamide (CID 162513569) is N-[4-(4-benzylpiperazin-1-yl)-4-phenyl-5H-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for N-[4-(4-benzylpiperazin-1-yl)-4-phenyl-5H-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for N-[4-(4-benzylpiperazin-1-yl)-4-phenyl-5H-1,3-thiazol-2-yl]propanamide is CCC(=O)NC1=NC(c2ccccc2)(N2CCN(Cc3ccccc3)CC2)CS1.
What is the InChIKey of N-[4-(4-benzylpiperazin-1-yl)-4-phenyl-5H-1,3-thiazol-2-yl]propanamide?
The InChIKey is PUEUXOGBTVOLFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4OS/c1-2-21(28)24-22-25-23(18-29-22,20-11-7-4-8-12-20)27-15-13-26(14-16-27)17-19-9-5-3-6-10-19/h3-12H,2,13-18H2,1H3,(H,24,25,28).
What are the key properties of N-[4-(4-benzylpiperazin-1-yl)-4-phenyl-5H-1,3-thiazol-2-yl]propanamide?
N-[4-(4-benzylpiperazin-1-yl)-4-phenyl-5H-1,3-thiazol-2-yl]propanamide has a molecular weight of 408.57 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-benzylpiperazin-1-yl)-4-phenyl-5H-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 162513569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).