3-[4-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]butyl]-1,3-thiazolidin-4-one

C18H24N4OS2 — CID 10762097

IUPAC3-[4-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]butyl]-1,3-thiazolidin-4-one
SMILESO=C1CSCN1CCCCN1CCN(c2nc3ccccc3s2)CC1
InChIInChI=1S/C18H24N4OS2/c23-17-13-24-14-22(17)8-4-3-7-20-9-11-21(12-10-20)18-19-15-5-1-2-6-16(15)25-18/h1-2,5-6H,3-4,7-14H2
InChIKeyPNMRNVZNUVLBHY-UHFFFAOYSA-N
MW376.55 g/mol
LogP2.73
Rot. Bonds6

About 3-[4-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]butyl]-1,3-thiazolidin-4-one

3-[4-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]butyl]-1,3-thiazolidin-4-one (PubChem CID 10762097) has the molecular formula C18H24N4OS2 and a molecular weight of 376.55 g/mol. Its IUPAC name is 3-[4-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]butyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-[4-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]butyl]-1,3-thiazolidin-4-one
PubChem CID10762097
Molecular FormulaC18H24N4OS2
Molecular Weight376.55 g/mol
Exact Mass376.14
IUPAC Name3-[4-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]butyl]-1,3-thiazolidin-4-one
SMILESO=C1CSCN1CCCCN1CCN(c2nc3ccccc3s2)CC1
InChIInChI=1S/C18H24N4OS2/c23-17-13-24-14-22(17)8-4-3-7-20-9-11-21(12-10-20)18-19-15-5-1-2-6-16(15)25-18/h1-2,5-6H,3-4,7-14H2
InChIKeyPNMRNVZNUVLBHY-UHFFFAOYSA-N
XLogP2.73
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.55
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[4-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]butyl]-1,3-thiazolidin-4-one 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 3-[4-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]butyl]-1,3-thiazolidin-4-one?
The IUPAC name of 3-[4-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]butyl]-1,3-thiazolidin-4-one (CID 10762097) is 3-[4-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]butyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-[4-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]butyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 3-[4-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]butyl]-1,3-thiazolidin-4-one is O=C1CSCN1CCCCN1CCN(c2nc3ccccc3s2)CC1.
What is the InChIKey of 3-[4-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]butyl]-1,3-thiazolidin-4-one?
The InChIKey is PNMRNVZNUVLBHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4OS2/c23-17-13-24-14-22(17)8-4-3-7-20-9-11-21(12-10-20)18-19-15-5-1-2-6-16(15)25-18/h1-2,5-6H,3-4,7-14H2.
What are the key properties of 3-[4-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]butyl]-1,3-thiazolidin-4-one?
3-[4-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]butyl]-1,3-thiazolidin-4-one has a molecular weight of 376.55 g/mol, XLogP of 2.73, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]butyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 10762097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).