N-methyl-3-[(4-morpholin-4-ylphenyl)methylideneamino]-4-(4-phenylphenyl)-1,3-thiazol-2-imine

C27H26N4OS — CID 23734153

IUPACN-methyl-3-[(4-morpholin-4-ylphenyl)methylideneamino]-4-(4-phenylphenyl)-1,3-thiazol-2-imine
SMILESC/N=c1\scc(-c2ccc(-c3ccccc3)cc2)n1N=Cc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C27H26N4OS/c1-28-27-31(29-19-21-7-13-25(14-8-21)30-15-17-32-18-16-30)26(20-33-27)24-11-9-23(10-12-24)22-5-3-2-4-6-22/h2-14,19-20H,15-18H2,1H3/b28-27-,29-19?
InChIKeyRWCYZKXZKBDWOF-AIBGTVEISA-N
MW454.60 g/mol
LogP5.13
Rot. Bonds5

About N-methyl-3-[(4-morpholin-4-ylphenyl)methylideneamino]-4-(4-phenylphenyl)-1,3-thiazol-2-imine

N-methyl-3-[(4-morpholin-4-ylphenyl)methylideneamino]-4-(4-phenylphenyl)-1,3-thiazol-2-imine (PubChem CID 23734153) has the molecular formula C27H26N4OS and a molecular weight of 454.60 g/mol. Its IUPAC name is N-methyl-3-[(4-morpholin-4-ylphenyl)methylideneamino]-4-(4-phenylphenyl)-1,3-thiazol-2-imine.

Molecular Properties

Compound NameN-methyl-3-[(4-morpholin-4-ylphenyl)methylideneamino]-4-(4-phenylphenyl)-1,3-thiazol-2-imine
PubChem CID23734153
Molecular FormulaC27H26N4OS
Molecular Weight454.60 g/mol
Exact Mass454.18
IUPAC NameN-methyl-3-[(4-morpholin-4-ylphenyl)methylideneamino]-4-(4-phenylphenyl)-1,3-thiazol-2-imine
SMILESC/N=c1\scc(-c2ccc(-c3ccccc3)cc2)n1N=Cc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C27H26N4OS/c1-28-27-31(29-19-21-7-13-25(14-8-21)30-15-17-32-18-16-30)26(20-33-27)24-11-9-23(10-12-24)22-5-3-2-4-6-22/h2-14,19-20H,15-18H2,1H3/b28-27-,29-19?
InChIKeyRWCYZKXZKBDWOF-AIBGTVEISA-N
XLogP5.13
TPSA42.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.60
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[(4-morpholin-4-ylphenyl)methylideneamino]-4-(4-phenylphenyl)-1,3-thiazol-2-imine?
The IUPAC name of N-methyl-3-[(4-morpholin-4-ylphenyl)methylideneamino]-4-(4-phenylphenyl)-1,3-thiazol-2-imine (CID 23734153) is N-methyl-3-[(4-morpholin-4-ylphenyl)methylideneamino]-4-(4-phenylphenyl)-1,3-thiazol-2-imine.
What is the SMILES notation for N-methyl-3-[(4-morpholin-4-ylphenyl)methylideneamino]-4-(4-phenylphenyl)-1,3-thiazol-2-imine?
The canonical SMILES for N-methyl-3-[(4-morpholin-4-ylphenyl)methylideneamino]-4-(4-phenylphenyl)-1,3-thiazol-2-imine is C/N=c1\scc(-c2ccc(-c3ccccc3)cc2)n1N=Cc1ccc(N2CCOCC2)cc1.
What is the InChIKey of N-methyl-3-[(4-morpholin-4-ylphenyl)methylideneamino]-4-(4-phenylphenyl)-1,3-thiazol-2-imine?
The InChIKey is RWCYZKXZKBDWOF-AIBGTVEISA-N. The full InChI is InChI=1S/C27H26N4OS/c1-28-27-31(29-19-21-7-13-25(14-8-21)30-15-17-32-18-16-30)26(20-33-27)24-11-9-23(10-12-24)22-5-3-2-4-6-22/h2-14,19-20H,15-18H2,1H3/b28-27-,29-19?.
What are the key properties of N-methyl-3-[(4-morpholin-4-ylphenyl)methylideneamino]-4-(4-phenylphenyl)-1,3-thiazol-2-imine?
N-methyl-3-[(4-morpholin-4-ylphenyl)methylideneamino]-4-(4-phenylphenyl)-1,3-thiazol-2-imine has a molecular weight of 454.60 g/mol, XLogP of 5.13, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[(4-morpholin-4-ylphenyl)methylideneamino]-4-(4-phenylphenyl)-1,3-thiazol-2-imine is sourced from PubChem (CID 23734153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).