4-(4-methylphenyl)-3-[(4-morpholin-4-ylphenyl)methylideneamino]-N-prop-2-enyl-1,3-thiazol-2-imine

C24H26N4OS — CID 23736849

IUPAC4-(4-methylphenyl)-3-[(4-morpholin-4-ylphenyl)methylideneamino]-N-prop-2-enyl-1,3-thiazol-2-imine
SMILESC=CC/N=c1\scc(-c2ccc(C)cc2)n1N=Cc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C24H26N4OS/c1-3-12-25-24-28(23(18-30-24)21-8-4-19(2)5-9-21)26-17-20-6-10-22(11-7-20)27-13-15-29-16-14-27/h3-11,17-18H,1,12-16H2,2H3/b25-24-,26-17?
InChIKeyYLFFGJKVRJVTJL-ZVISHISFSA-N
MW418.57 g/mol
LogP4.33
Rot. Bonds6

About 4-(4-methylphenyl)-3-[(4-morpholin-4-ylphenyl)methylideneamino]-N-prop-2-enyl-1,3-thiazol-2-imine

4-(4-methylphenyl)-3-[(4-morpholin-4-ylphenyl)methylideneamino]-N-prop-2-enyl-1,3-thiazol-2-imine (PubChem CID 23736849) has the molecular formula C24H26N4OS and a molecular weight of 418.57 g/mol. Its IUPAC name is 4-(4-methylphenyl)-3-[(4-morpholin-4-ylphenyl)methylideneamino]-N-prop-2-enyl-1,3-thiazol-2-imine.

Molecular Properties

Compound Name4-(4-methylphenyl)-3-[(4-morpholin-4-ylphenyl)methylideneamino]-N-prop-2-enyl-1,3-thiazol-2-imine
PubChem CID23736849
Molecular FormulaC24H26N4OS
Molecular Weight418.57 g/mol
Exact Mass418.18
IUPAC Name4-(4-methylphenyl)-3-[(4-morpholin-4-ylphenyl)methylideneamino]-N-prop-2-enyl-1,3-thiazol-2-imine
SMILESC=CC/N=c1\scc(-c2ccc(C)cc2)n1N=Cc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C24H26N4OS/c1-3-12-25-24-28(23(18-30-24)21-8-4-19(2)5-9-21)26-17-20-6-10-22(11-7-20)27-13-15-29-16-14-27/h3-11,17-18H,1,12-16H2,2H3/b25-24-,26-17?
InChIKeyYLFFGJKVRJVTJL-ZVISHISFSA-N
XLogP4.33
TPSA42.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.57
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-3-[(4-morpholin-4-ylphenyl)methylideneamino]-N-prop-2-enyl-1,3-thiazol-2-imine?
The IUPAC name of 4-(4-methylphenyl)-3-[(4-morpholin-4-ylphenyl)methylideneamino]-N-prop-2-enyl-1,3-thiazol-2-imine (CID 23736849) is 4-(4-methylphenyl)-3-[(4-morpholin-4-ylphenyl)methylideneamino]-N-prop-2-enyl-1,3-thiazol-2-imine.
What is the SMILES notation for 4-(4-methylphenyl)-3-[(4-morpholin-4-ylphenyl)methylideneamino]-N-prop-2-enyl-1,3-thiazol-2-imine?
The canonical SMILES for 4-(4-methylphenyl)-3-[(4-morpholin-4-ylphenyl)methylideneamino]-N-prop-2-enyl-1,3-thiazol-2-imine is C=CC/N=c1\scc(-c2ccc(C)cc2)n1N=Cc1ccc(N2CCOCC2)cc1.
What is the InChIKey of 4-(4-methylphenyl)-3-[(4-morpholin-4-ylphenyl)methylideneamino]-N-prop-2-enyl-1,3-thiazol-2-imine?
The InChIKey is YLFFGJKVRJVTJL-ZVISHISFSA-N. The full InChI is InChI=1S/C24H26N4OS/c1-3-12-25-24-28(23(18-30-24)21-8-4-19(2)5-9-21)26-17-20-6-10-22(11-7-20)27-13-15-29-16-14-27/h3-11,17-18H,1,12-16H2,2H3/b25-24-,26-17?.
What are the key properties of 4-(4-methylphenyl)-3-[(4-morpholin-4-ylphenyl)methylideneamino]-N-prop-2-enyl-1,3-thiazol-2-imine?
4-(4-methylphenyl)-3-[(4-morpholin-4-ylphenyl)methylideneamino]-N-prop-2-enyl-1,3-thiazol-2-imine has a molecular weight of 418.57 g/mol, XLogP of 4.33, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-3-[(4-morpholin-4-ylphenyl)methylideneamino]-N-prop-2-enyl-1,3-thiazol-2-imine is sourced from PubChem (CID 23736849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).