N-[4-[3-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]propoxy]phenyl]acetamide

C22H26N4O2S — CID 162643168

IUPACN-[4-[3-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]propoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(OCCCN2CCN(c3nsc4ccccc34)CC2)cc1
InChIInChI=1S/C22H26N4O2S/c1-17(27)23-18-7-9-19(10-8-18)28-16-4-11-25-12-14-26(15-13-25)22-20-5-2-3-6-21(20)29-24-22/h2-3,5-10H,4,11-16H2,1H3,(H,23,27)
InChIKeyZSYZODAGADSAAG-UHFFFAOYSA-N
MW410.54 g/mol
LogP3.85
Rot. Bonds7

About N-[4-[3-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]propoxy]phenyl]acetamide

N-[4-[3-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]propoxy]phenyl]acetamide (PubChem CID 162643168) has the molecular formula C22H26N4O2S and a molecular weight of 410.54 g/mol. Its IUPAC name is N-[4-[3-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]propoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[3-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]propoxy]phenyl]acetamide
PubChem CID162643168
Molecular FormulaC22H26N4O2S
Molecular Weight410.54 g/mol
Exact Mass410.18
IUPAC NameN-[4-[3-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]propoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(OCCCN2CCN(c3nsc4ccccc34)CC2)cc1
InChIInChI=1S/C22H26N4O2S/c1-17(27)23-18-7-9-19(10-8-18)28-16-4-11-25-12-14-26(15-13-25)22-20-5-2-3-6-21(20)29-24-22/h2-3,5-10H,4,11-16H2,1H3,(H,23,27)
InChIKeyZSYZODAGADSAAG-UHFFFAOYSA-N
XLogP3.85
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[4-[3-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]propoxy]phenyl]acetamide 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-[3-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]propoxy]phenyl]acetamide?
The IUPAC name of N-[4-[3-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]propoxy]phenyl]acetamide (CID 162643168) is N-[4-[3-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]propoxy]phenyl]acetamide.
What is the SMILES notation for N-[4-[3-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]propoxy]phenyl]acetamide?
The canonical SMILES for N-[4-[3-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]propoxy]phenyl]acetamide is CC(=O)Nc1ccc(OCCCN2CCN(c3nsc4ccccc34)CC2)cc1.
What is the InChIKey of N-[4-[3-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]propoxy]phenyl]acetamide?
The InChIKey is ZSYZODAGADSAAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2S/c1-17(27)23-18-7-9-19(10-8-18)28-16-4-11-25-12-14-26(15-13-25)22-20-5-2-3-6-21(20)29-24-22/h2-3,5-10H,4,11-16H2,1H3,(H,23,27).
What are the key properties of N-[4-[3-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]propoxy]phenyl]acetamide?
N-[4-[3-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]propoxy]phenyl]acetamide has a molecular weight of 410.54 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]propoxy]phenyl]acetamide is sourced from PubChem (CID 162643168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).