N-(4-methoxybutyl)-4-phenyl-1,3-thiazolidin-2-imine

C14H20N2OS — CID 135965221

IUPACN-(4-methoxybutyl)-4-phenyl-1,3-thiazolidin-2-imine
SMILESCOCCCC/N=C1/NC(c2ccccc2)CS1
InChIInChI=1S/C14H20N2OS/c1-17-10-6-5-9-15-14-16-13(11-18-14)12-7-3-2-4-8-12/h2-4,7-8,13H,5-6,9-11H2,1H3,(H,15,16)
InChIKeyRAPWNLYOWOOVRK-UHFFFAOYSA-N
MW264.39 g/mol
LogP2.85
Rot. Bonds6

About N-(4-methoxybutyl)-4-phenyl-1,3-thiazolidin-2-imine

N-(4-methoxybutyl)-4-phenyl-1,3-thiazolidin-2-imine (PubChem CID 135965221) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is N-(4-methoxybutyl)-4-phenyl-1,3-thiazolidin-2-imine.

Molecular Properties

Compound NameN-(4-methoxybutyl)-4-phenyl-1,3-thiazolidin-2-imine
PubChem CID135965221
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC NameN-(4-methoxybutyl)-4-phenyl-1,3-thiazolidin-2-imine
SMILESCOCCCC/N=C1/NC(c2ccccc2)CS1
InChIInChI=1S/C14H20N2OS/c1-17-10-6-5-9-15-14-16-13(11-18-14)12-7-3-2-4-8-12/h2-4,7-8,13H,5-6,9-11H2,1H3,(H,15,16)
InChIKeyRAPWNLYOWOOVRK-UHFFFAOYSA-N
XLogP2.85
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-(4-methoxybutyl)-4-phenyl-1,3-thiazolidin-2-imine 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-methoxybutyl)-4-phenyl-1,3-thiazolidin-2-imine?
The IUPAC name of N-(4-methoxybutyl)-4-phenyl-1,3-thiazolidin-2-imine (CID 135965221) is N-(4-methoxybutyl)-4-phenyl-1,3-thiazolidin-2-imine.
What is the SMILES notation for N-(4-methoxybutyl)-4-phenyl-1,3-thiazolidin-2-imine?
The canonical SMILES for N-(4-methoxybutyl)-4-phenyl-1,3-thiazolidin-2-imine is COCCCC/N=C1/NC(c2ccccc2)CS1.
What is the InChIKey of N-(4-methoxybutyl)-4-phenyl-1,3-thiazolidin-2-imine?
The InChIKey is RAPWNLYOWOOVRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-17-10-6-5-9-15-14-16-13(11-18-14)12-7-3-2-4-8-12/h2-4,7-8,13H,5-6,9-11H2,1H3,(H,15,16).
What are the key properties of N-(4-methoxybutyl)-4-phenyl-1,3-thiazolidin-2-imine?
N-(4-methoxybutyl)-4-phenyl-1,3-thiazolidin-2-imine has a molecular weight of 264.39 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxybutyl)-4-phenyl-1,3-thiazolidin-2-imine is sourced from PubChem (CID 135965221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).