1-[4-[4-(1,3-thiazol-5-ylmethoxy)phenoxy]phenyl]propane-1,3-diimine

C19H17N3O2S — CID 123835373

IUPAC1-[4-[4-(1,3-thiazol-5-ylmethoxy)phenoxy]phenyl]propane-1,3-diimine
SMILES[H]/N=C/C/C(=N\[H])c1ccc(Oc2ccc(OCc3cncs3)cc2)cc1
InChIInChI=1S/C19H17N3O2S/c20-10-9-19(21)14-1-3-16(4-2-14)24-17-7-5-15(6-8-17)23-12-18-11-22-13-25-18/h1-8,10-11,13,20-21H,9,12H2/b20-10+,21-19+
InChIKeyOEIZIFOFRAUQNM-HBASTNHKSA-N
MW351.43 g/mol
LogP4.92
Rot. Bonds8

About 1-[4-[4-(1,3-thiazol-5-ylmethoxy)phenoxy]phenyl]propane-1,3-diimine

1-[4-[4-(1,3-thiazol-5-ylmethoxy)phenoxy]phenyl]propane-1,3-diimine (PubChem CID 123835373) has the molecular formula C19H17N3O2S and a molecular weight of 351.43 g/mol. Its IUPAC name is 1-[4-[4-(1,3-thiazol-5-ylmethoxy)phenoxy]phenyl]propane-1,3-diimine.

Molecular Properties

Compound Name1-[4-[4-(1,3-thiazol-5-ylmethoxy)phenoxy]phenyl]propane-1,3-diimine
PubChem CID123835373
Molecular FormulaC19H17N3O2S
Molecular Weight351.43 g/mol
Exact Mass351.10
IUPAC Name1-[4-[4-(1,3-thiazol-5-ylmethoxy)phenoxy]phenyl]propane-1,3-diimine
SMILES[H]/N=C/C/C(=N\[H])c1ccc(Oc2ccc(OCc3cncs3)cc2)cc1
InChIInChI=1S/C19H17N3O2S/c20-10-9-19(21)14-1-3-16(4-2-14)24-17-7-5-15(6-8-17)23-12-18-11-22-13-25-18/h1-8,10-11,13,20-21H,9,12H2/b20-10+,21-19+
InChIKeyOEIZIFOFRAUQNM-HBASTNHKSA-N
XLogP4.92
TPSA79.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-[4-[4-(1,3-thiazol-5-ylmethoxy)phenoxy]phenyl]propane-1,3-diimine 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 1-[4-[4-(1,3-thiazol-5-ylmethoxy)phenoxy]phenyl]propane-1,3-diimine?
The IUPAC name of 1-[4-[4-(1,3-thiazol-5-ylmethoxy)phenoxy]phenyl]propane-1,3-diimine (CID 123835373) is 1-[4-[4-(1,3-thiazol-5-ylmethoxy)phenoxy]phenyl]propane-1,3-diimine.
What is the SMILES notation for 1-[4-[4-(1,3-thiazol-5-ylmethoxy)phenoxy]phenyl]propane-1,3-diimine?
The canonical SMILES for 1-[4-[4-(1,3-thiazol-5-ylmethoxy)phenoxy]phenyl]propane-1,3-diimine is [H]/N=C/C/C(=N\[H])c1ccc(Oc2ccc(OCc3cncs3)cc2)cc1.
What is the InChIKey of 1-[4-[4-(1,3-thiazol-5-ylmethoxy)phenoxy]phenyl]propane-1,3-diimine?
The InChIKey is OEIZIFOFRAUQNM-HBASTNHKSA-N. The full InChI is InChI=1S/C19H17N3O2S/c20-10-9-19(21)14-1-3-16(4-2-14)24-17-7-5-15(6-8-17)23-12-18-11-22-13-25-18/h1-8,10-11,13,20-21H,9,12H2/b20-10+,21-19+.
What are the key properties of 1-[4-[4-(1,3-thiazol-5-ylmethoxy)phenoxy]phenyl]propane-1,3-diimine?
1-[4-[4-(1,3-thiazol-5-ylmethoxy)phenoxy]phenyl]propane-1,3-diimine has a molecular weight of 351.43 g/mol, XLogP of 4.92, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(1,3-thiazol-5-ylmethoxy)phenoxy]phenyl]propane-1,3-diimine is sourced from PubChem (CID 123835373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).