3-(3-imidazol-1-ylpropyl)-4-(2-methoxyphenyl)-N-(3-methoxyphenyl)-1,3-thiazol-2-imine

C23H24N4O2S — CID 23940294

IUPAC3-(3-imidazol-1-ylpropyl)-4-(2-methoxyphenyl)-N-(3-methoxyphenyl)-1,3-thiazol-2-imine
SMILESCOc1cccc(/N=c2\scc(-c3ccccc3OC)n2CCCn2ccnc2)c1
InChIInChI=1S/C23H24N4O2S/c1-28-19-8-5-7-18(15-19)25-23-27(13-6-12-26-14-11-24-17-26)21(16-30-23)20-9-3-4-10-22(20)29-2/h3-5,7-11,14-17H,6,12-13H2,1-2H3/b25-23-
InChIKeyUIQGGVJVSILUMP-BZZOAKBMSA-N
MW420.54 g/mol
LogP4.75
Rot. Bonds8

About 3-(3-imidazol-1-ylpropyl)-4-(2-methoxyphenyl)-N-(3-methoxyphenyl)-1,3-thiazol-2-imine

3-(3-imidazol-1-ylpropyl)-4-(2-methoxyphenyl)-N-(3-methoxyphenyl)-1,3-thiazol-2-imine (PubChem CID 23940294) has the molecular formula C23H24N4O2S and a molecular weight of 420.54 g/mol. Its IUPAC name is 3-(3-imidazol-1-ylpropyl)-4-(2-methoxyphenyl)-N-(3-methoxyphenyl)-1,3-thiazol-2-imine.

Molecular Properties

Compound Name3-(3-imidazol-1-ylpropyl)-4-(2-methoxyphenyl)-N-(3-methoxyphenyl)-1,3-thiazol-2-imine
PubChem CID23940294
Molecular FormulaC23H24N4O2S
Molecular Weight420.54 g/mol
Exact Mass420.16
IUPAC Name3-(3-imidazol-1-ylpropyl)-4-(2-methoxyphenyl)-N-(3-methoxyphenyl)-1,3-thiazol-2-imine
SMILESCOc1cccc(/N=c2\scc(-c3ccccc3OC)n2CCCn2ccnc2)c1
InChIInChI=1S/C23H24N4O2S/c1-28-19-8-5-7-18(15-19)25-23-27(13-6-12-26-14-11-24-17-26)21(16-30-23)20-9-3-4-10-22(20)29-2/h3-5,7-11,14-17H,6,12-13H2,1-2H3/b25-23-
InChIKeyUIQGGVJVSILUMP-BZZOAKBMSA-N
XLogP4.75
TPSA53.57 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.54
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3-imidazol-1-ylpropyl)-4-(2-methoxyphenyl)-N-(3-methoxyphenyl)-1,3-thiazol-2-imine?
The IUPAC name of 3-(3-imidazol-1-ylpropyl)-4-(2-methoxyphenyl)-N-(3-methoxyphenyl)-1,3-thiazol-2-imine (CID 23940294) is 3-(3-imidazol-1-ylpropyl)-4-(2-methoxyphenyl)-N-(3-methoxyphenyl)-1,3-thiazol-2-imine.
What is the SMILES notation for 3-(3-imidazol-1-ylpropyl)-4-(2-methoxyphenyl)-N-(3-methoxyphenyl)-1,3-thiazol-2-imine?
The canonical SMILES for 3-(3-imidazol-1-ylpropyl)-4-(2-methoxyphenyl)-N-(3-methoxyphenyl)-1,3-thiazol-2-imine is COc1cccc(/N=c2\scc(-c3ccccc3OC)n2CCCn2ccnc2)c1.
What is the InChIKey of 3-(3-imidazol-1-ylpropyl)-4-(2-methoxyphenyl)-N-(3-methoxyphenyl)-1,3-thiazol-2-imine?
The InChIKey is UIQGGVJVSILUMP-BZZOAKBMSA-N. The full InChI is InChI=1S/C23H24N4O2S/c1-28-19-8-5-7-18(15-19)25-23-27(13-6-12-26-14-11-24-17-26)21(16-30-23)20-9-3-4-10-22(20)29-2/h3-5,7-11,14-17H,6,12-13H2,1-2H3/b25-23-.
What are the key properties of 3-(3-imidazol-1-ylpropyl)-4-(2-methoxyphenyl)-N-(3-methoxyphenyl)-1,3-thiazol-2-imine?
3-(3-imidazol-1-ylpropyl)-4-(2-methoxyphenyl)-N-(3-methoxyphenyl)-1,3-thiazol-2-imine has a molecular weight of 420.54 g/mol, XLogP of 4.75, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-imidazol-1-ylpropyl)-4-(2-methoxyphenyl)-N-(3-methoxyphenyl)-1,3-thiazol-2-imine is sourced from PubChem (CID 23940294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).