N-(2-methylprop-2-enyl)-3-[1-(4-morpholin-4-ylphenyl)ethylideneamino]-4-phenyl-1,3-thiazol-2-imine

C25H28N4OS — CID 23908205

IUPACN-(2-methylprop-2-enyl)-3-[1-(4-morpholin-4-ylphenyl)ethylideneamino]-4-phenyl-1,3-thiazol-2-imine
SMILESC=C(C)C/N=c1\scc(-c2ccccc2)n1N=C(C)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C25H28N4OS/c1-19(2)17-26-25-29(24(18-31-25)22-7-5-4-6-8-22)27-20(3)21-9-11-23(12-10-21)28-13-15-30-16-14-28/h4-12,18H,1,13-17H2,2-3H3/b26-25-,27-20?
InChIKeyLDBVMSINOCIKTP-AULYDLRGSA-N
MW432.59 g/mol
LogP4.80
Rot. Bonds6

About N-(2-methylprop-2-enyl)-3-[1-(4-morpholin-4-ylphenyl)ethylideneamino]-4-phenyl-1,3-thiazol-2-imine

N-(2-methylprop-2-enyl)-3-[1-(4-morpholin-4-ylphenyl)ethylideneamino]-4-phenyl-1,3-thiazol-2-imine (PubChem CID 23908205) has the molecular formula C25H28N4OS and a molecular weight of 432.59 g/mol. Its IUPAC name is N-(2-methylprop-2-enyl)-3-[1-(4-morpholin-4-ylphenyl)ethylideneamino]-4-phenyl-1,3-thiazol-2-imine.

Molecular Properties

Compound NameN-(2-methylprop-2-enyl)-3-[1-(4-morpholin-4-ylphenyl)ethylideneamino]-4-phenyl-1,3-thiazol-2-imine
PubChem CID23908205
Molecular FormulaC25H28N4OS
Molecular Weight432.59 g/mol
Exact Mass432.20
IUPAC NameN-(2-methylprop-2-enyl)-3-[1-(4-morpholin-4-ylphenyl)ethylideneamino]-4-phenyl-1,3-thiazol-2-imine
SMILESC=C(C)C/N=c1\scc(-c2ccccc2)n1N=C(C)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C25H28N4OS/c1-19(2)17-26-25-29(24(18-31-25)22-7-5-4-6-8-22)27-20(3)21-9-11-23(12-10-21)28-13-15-30-16-14-28/h4-12,18H,1,13-17H2,2-3H3/b26-25-,27-20?
InChIKeyLDBVMSINOCIKTP-AULYDLRGSA-N
XLogP4.80
TPSA42.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.59
LogP ≤ 54.80
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 N-(2-methylprop-2-enyl)-3-[1-(4-morpholin-4-ylphenyl)ethylideneamino]-4-phenyl-1,3-thiazol-2-imine?
The IUPAC name of N-(2-methylprop-2-enyl)-3-[1-(4-morpholin-4-ylphenyl)ethylideneamino]-4-phenyl-1,3-thiazol-2-imine (CID 23908205) is N-(2-methylprop-2-enyl)-3-[1-(4-morpholin-4-ylphenyl)ethylideneamino]-4-phenyl-1,3-thiazol-2-imine.
What is the SMILES notation for N-(2-methylprop-2-enyl)-3-[1-(4-morpholin-4-ylphenyl)ethylideneamino]-4-phenyl-1,3-thiazol-2-imine?
The canonical SMILES for N-(2-methylprop-2-enyl)-3-[1-(4-morpholin-4-ylphenyl)ethylideneamino]-4-phenyl-1,3-thiazol-2-imine is C=C(C)C/N=c1\scc(-c2ccccc2)n1N=C(C)c1ccc(N2CCOCC2)cc1.
What is the InChIKey of N-(2-methylprop-2-enyl)-3-[1-(4-morpholin-4-ylphenyl)ethylideneamino]-4-phenyl-1,3-thiazol-2-imine?
The InChIKey is LDBVMSINOCIKTP-AULYDLRGSA-N. The full InChI is InChI=1S/C25H28N4OS/c1-19(2)17-26-25-29(24(18-31-25)22-7-5-4-6-8-22)27-20(3)21-9-11-23(12-10-21)28-13-15-30-16-14-28/h4-12,18H,1,13-17H2,2-3H3/b26-25-,27-20?.
What are the key properties of N-(2-methylprop-2-enyl)-3-[1-(4-morpholin-4-ylphenyl)ethylideneamino]-4-phenyl-1,3-thiazol-2-imine?
N-(2-methylprop-2-enyl)-3-[1-(4-morpholin-4-ylphenyl)ethylideneamino]-4-phenyl-1,3-thiazol-2-imine has a molecular weight of 432.59 g/mol, XLogP of 4.80, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylprop-2-enyl)-3-[1-(4-morpholin-4-ylphenyl)ethylideneamino]-4-phenyl-1,3-thiazol-2-imine is sourced from PubChem (CID 23908205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).