3-[1-(1,3-benzodioxol-5-yl)ethylideneamino]-N-ethyl-4-phenyl-1,3-thiazol-2-imine

C20H19N3O2S — CID 23733273

IUPAC3-[1-(1,3-benzodioxol-5-yl)ethylideneamino]-N-ethyl-4-phenyl-1,3-thiazol-2-imine
SMILESCC/N=c1\scc(-c2ccccc2)n1N=C(C)c1ccc2c(c1)OCO2
InChIInChI=1S/C20H19N3O2S/c1-3-21-20-23(17(12-26-20)15-7-5-4-6-8-15)22-14(2)16-9-10-18-19(11-16)25-13-24-18/h4-12H,3,13H2,1-2H3/b21-20-,22-14?
InChIKeyANFTWNGUMICROV-HPEBIJNISA-N
MW365.46 g/mol
LogP4.14
Rot. Bonds4

About 3-[1-(1,3-benzodioxol-5-yl)ethylideneamino]-N-ethyl-4-phenyl-1,3-thiazol-2-imine

3-[1-(1,3-benzodioxol-5-yl)ethylideneamino]-N-ethyl-4-phenyl-1,3-thiazol-2-imine (PubChem CID 23733273) has the molecular formula C20H19N3O2S and a molecular weight of 365.46 g/mol. Its IUPAC name is 3-[1-(1,3-benzodioxol-5-yl)ethylideneamino]-N-ethyl-4-phenyl-1,3-thiazol-2-imine.

Molecular Properties

Compound Name3-[1-(1,3-benzodioxol-5-yl)ethylideneamino]-N-ethyl-4-phenyl-1,3-thiazol-2-imine
PubChem CID23733273
Molecular FormulaC20H19N3O2S
Molecular Weight365.46 g/mol
Exact Mass365.12
IUPAC Name3-[1-(1,3-benzodioxol-5-yl)ethylideneamino]-N-ethyl-4-phenyl-1,3-thiazol-2-imine
SMILESCC/N=c1\scc(-c2ccccc2)n1N=C(C)c1ccc2c(c1)OCO2
InChIInChI=1S/C20H19N3O2S/c1-3-21-20-23(17(12-26-20)15-7-5-4-6-8-15)22-14(2)16-9-10-18-19(11-16)25-13-24-18/h4-12H,3,13H2,1-2H3/b21-20-,22-14?
InChIKeyANFTWNGUMICROV-HPEBIJNISA-N
XLogP4.14
TPSA48.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[1-(1,3-benzodioxol-5-yl)ethylideneamino]-N-ethyl-4-phenyl-1,3-thiazol-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 3-[1-(1,3-benzodioxol-5-yl)ethylideneamino]-N-ethyl-4-phenyl-1,3-thiazol-2-imine?
The IUPAC name of 3-[1-(1,3-benzodioxol-5-yl)ethylideneamino]-N-ethyl-4-phenyl-1,3-thiazol-2-imine (CID 23733273) is 3-[1-(1,3-benzodioxol-5-yl)ethylideneamino]-N-ethyl-4-phenyl-1,3-thiazol-2-imine.
What is the SMILES notation for 3-[1-(1,3-benzodioxol-5-yl)ethylideneamino]-N-ethyl-4-phenyl-1,3-thiazol-2-imine?
The canonical SMILES for 3-[1-(1,3-benzodioxol-5-yl)ethylideneamino]-N-ethyl-4-phenyl-1,3-thiazol-2-imine is CC/N=c1\scc(-c2ccccc2)n1N=C(C)c1ccc2c(c1)OCO2.
What is the InChIKey of 3-[1-(1,3-benzodioxol-5-yl)ethylideneamino]-N-ethyl-4-phenyl-1,3-thiazol-2-imine?
The InChIKey is ANFTWNGUMICROV-HPEBIJNISA-N. The full InChI is InChI=1S/C20H19N3O2S/c1-3-21-20-23(17(12-26-20)15-7-5-4-6-8-15)22-14(2)16-9-10-18-19(11-16)25-13-24-18/h4-12H,3,13H2,1-2H3/b21-20-,22-14?.
What are the key properties of 3-[1-(1,3-benzodioxol-5-yl)ethylideneamino]-N-ethyl-4-phenyl-1,3-thiazol-2-imine?
3-[1-(1,3-benzodioxol-5-yl)ethylideneamino]-N-ethyl-4-phenyl-1,3-thiazol-2-imine has a molecular weight of 365.46 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1,3-benzodioxol-5-yl)ethylideneamino]-N-ethyl-4-phenyl-1,3-thiazol-2-imine is sourced from PubChem (CID 23733273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).