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

C23H24N4O2S — CID 23822799

IUPAC3-(3-imidazol-1-ylpropyl)-N,4-bis(4-methoxyphenyl)-1,3-thiazol-2-imine
SMILESCOc1ccc(/N=c2\scc(-c3ccc(OC)cc3)n2CCCn2ccnc2)cc1
InChIInChI=1S/C23H24N4O2S/c1-28-20-8-4-18(5-9-20)22-16-30-23(25-19-6-10-21(29-2)11-7-19)27(22)14-3-13-26-15-12-24-17-26/h4-12,15-17H,3,13-14H2,1-2H3/b25-23-
InChIKeyMWCNJIADQYMZDH-BZZOAKBMSA-N
MW420.54 g/mol
LogP4.75
Rot. Bonds8

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

3-(3-imidazol-1-ylpropyl)-N,4-bis(4-methoxyphenyl)-1,3-thiazol-2-imine (PubChem CID 23822799) has the molecular formula C23H24N4O2S and a molecular weight of 420.54 g/mol. Its IUPAC name is 3-(3-imidazol-1-ylpropyl)-N,4-bis(4-methoxyphenyl)-1,3-thiazol-2-imine.

Molecular Properties

Compound Name3-(3-imidazol-1-ylpropyl)-N,4-bis(4-methoxyphenyl)-1,3-thiazol-2-imine
PubChem CID23822799
Molecular FormulaC23H24N4O2S
Molecular Weight420.54 g/mol
Exact Mass420.16
IUPAC Name3-(3-imidazol-1-ylpropyl)-N,4-bis(4-methoxyphenyl)-1,3-thiazol-2-imine
SMILESCOc1ccc(/N=c2\scc(-c3ccc(OC)cc3)n2CCCn2ccnc2)cc1
InChIInChI=1S/C23H24N4O2S/c1-28-20-8-4-18(5-9-20)22-16-30-23(25-19-6-10-21(29-2)11-7-19)27(22)14-3-13-26-15-12-24-17-26/h4-12,15-17H,3,13-14H2,1-2H3/b25-23-
InChIKeyMWCNJIADQYMZDH-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)-N,4-bis(4-methoxyphenyl)-1,3-thiazol-2-imine?
The IUPAC name of 3-(3-imidazol-1-ylpropyl)-N,4-bis(4-methoxyphenyl)-1,3-thiazol-2-imine (CID 23822799) is 3-(3-imidazol-1-ylpropyl)-N,4-bis(4-methoxyphenyl)-1,3-thiazol-2-imine.
What is the SMILES notation for 3-(3-imidazol-1-ylpropyl)-N,4-bis(4-methoxyphenyl)-1,3-thiazol-2-imine?
The canonical SMILES for 3-(3-imidazol-1-ylpropyl)-N,4-bis(4-methoxyphenyl)-1,3-thiazol-2-imine is COc1ccc(/N=c2\scc(-c3ccc(OC)cc3)n2CCCn2ccnc2)cc1.
What is the InChIKey of 3-(3-imidazol-1-ylpropyl)-N,4-bis(4-methoxyphenyl)-1,3-thiazol-2-imine?
The InChIKey is MWCNJIADQYMZDH-BZZOAKBMSA-N. The full InChI is InChI=1S/C23H24N4O2S/c1-28-20-8-4-18(5-9-20)22-16-30-23(25-19-6-10-21(29-2)11-7-19)27(22)14-3-13-26-15-12-24-17-26/h4-12,15-17H,3,13-14H2,1-2H3/b25-23-.
What are the key properties of 3-(3-imidazol-1-ylpropyl)-N,4-bis(4-methoxyphenyl)-1,3-thiazol-2-imine?
3-(3-imidazol-1-ylpropyl)-N,4-bis(4-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)-N,4-bis(4-methoxyphenyl)-1,3-thiazol-2-imine is sourced from PubChem (CID 23822799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).