(E)-3-[(E)-benzylideneamino]-4-(3,4-dimethoxyphenyl)-N-phenyl-1,3-thiazol-2-imine

C24H21N3O2S — CID 6882342

IUPAC(E)-3-[(E)-benzylideneamino]-4-(3,4-dimethoxyphenyl)-N-phenyl-1,3-thiazol-2-imine
SMILESCOc1ccc(-c2cs/c(=N\c3ccccc3)n2/N=C/c2ccccc2)cc1OC
InChIInChI=1S/C24H21N3O2S/c1-28-22-14-13-19(15-23(22)29-2)21-17-30-24(26-20-11-7-4-8-12-20)27(21)25-16-18-9-5-3-6-10-18/h3-17H,1-2H3/b25-16+,26-24-
InChIKeyUEOIUIPMEKCWHI-YJBIHYNGSA-N
MW415.52 g/mol
LogP5.35
Rot. Bonds6

About (E)-3-[(E)-benzylideneamino]-4-(3,4-dimethoxyphenyl)-N-phenyl-1,3-thiazol-2-imine

(E)-3-[(E)-benzylideneamino]-4-(3,4-dimethoxyphenyl)-N-phenyl-1,3-thiazol-2-imine (PubChem CID 6882342) has the molecular formula C24H21N3O2S and a molecular weight of 415.52 g/mol. Its IUPAC name is (E)-3-[(E)-benzylideneamino]-4-(3,4-dimethoxyphenyl)-N-phenyl-1,3-thiazol-2-imine.

Molecular Properties

Compound Name(E)-3-[(E)-benzylideneamino]-4-(3,4-dimethoxyphenyl)-N-phenyl-1,3-thiazol-2-imine
PubChem CID6882342
Molecular FormulaC24H21N3O2S
Molecular Weight415.52 g/mol
Exact Mass415.14
IUPAC Name(E)-3-[(E)-benzylideneamino]-4-(3,4-dimethoxyphenyl)-N-phenyl-1,3-thiazol-2-imine
SMILESCOc1ccc(-c2cs/c(=N\c3ccccc3)n2/N=C/c2ccccc2)cc1OC
InChIInChI=1S/C24H21N3O2S/c1-28-22-14-13-19(15-23(22)29-2)21-17-30-24(26-20-11-7-4-8-12-20)27(21)25-16-18-9-5-3-6-10-18/h3-17H,1-2H3/b25-16+,26-24-
InChIKeyUEOIUIPMEKCWHI-YJBIHYNGSA-N
XLogP5.35
TPSA48.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.52
LogP ≤ 55.35
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 (E)-3-[(E)-benzylideneamino]-4-(3,4-dimethoxyphenyl)-N-phenyl-1,3-thiazol-2-imine?
The IUPAC name of (E)-3-[(E)-benzylideneamino]-4-(3,4-dimethoxyphenyl)-N-phenyl-1,3-thiazol-2-imine (CID 6882342) is (E)-3-[(E)-benzylideneamino]-4-(3,4-dimethoxyphenyl)-N-phenyl-1,3-thiazol-2-imine.
What is the SMILES notation for (E)-3-[(E)-benzylideneamino]-4-(3,4-dimethoxyphenyl)-N-phenyl-1,3-thiazol-2-imine?
The canonical SMILES for (E)-3-[(E)-benzylideneamino]-4-(3,4-dimethoxyphenyl)-N-phenyl-1,3-thiazol-2-imine is COc1ccc(-c2cs/c(=N\c3ccccc3)n2/N=C/c2ccccc2)cc1OC.
What is the InChIKey of (E)-3-[(E)-benzylideneamino]-4-(3,4-dimethoxyphenyl)-N-phenyl-1,3-thiazol-2-imine?
The InChIKey is UEOIUIPMEKCWHI-YJBIHYNGSA-N. The full InChI is InChI=1S/C24H21N3O2S/c1-28-22-14-13-19(15-23(22)29-2)21-17-30-24(26-20-11-7-4-8-12-20)27(21)25-16-18-9-5-3-6-10-18/h3-17H,1-2H3/b25-16+,26-24-.
What are the key properties of (E)-3-[(E)-benzylideneamino]-4-(3,4-dimethoxyphenyl)-N-phenyl-1,3-thiazol-2-imine?
(E)-3-[(E)-benzylideneamino]-4-(3,4-dimethoxyphenyl)-N-phenyl-1,3-thiazol-2-imine has a molecular weight of 415.52 g/mol, XLogP of 5.35, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[(E)-benzylideneamino]-4-(3,4-dimethoxyphenyl)-N-phenyl-1,3-thiazol-2-imine is sourced from PubChem (CID 6882342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).