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

C22H17N3S — CID 12677063

IUPAC(E)-N-[(E)-benzylideneamino]-3,4-diphenyl-1,3-thiazol-2-imine
SMILESC(=N/N=c1\scc(-c2ccccc2)n1-c1ccccc1)\c1ccccc1
InChIInChI=1S/C22H17N3S/c1-4-10-18(11-5-1)16-23-24-22-25(20-14-8-3-9-15-20)21(17-26-22)19-12-6-2-7-13-19/h1-17H/b23-16+,24-22-
InChIKeyOLULYOFTWMSNLU-NGAXQJCKSA-N
MW355.47 g/mol
LogP5.14
Rot. Bonds4

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

(E)-N-[(E)-benzylideneamino]-3,4-diphenyl-1,3-thiazol-2-imine (PubChem CID 12677063) has the molecular formula C22H17N3S and a molecular weight of 355.47 g/mol. Its IUPAC name is (E)-N-[(E)-benzylideneamino]-3,4-diphenyl-1,3-thiazol-2-imine.

Molecular Properties

Compound Name(E)-N-[(E)-benzylideneamino]-3,4-diphenyl-1,3-thiazol-2-imine
PubChem CID12677063
Molecular FormulaC22H17N3S
Molecular Weight355.47 g/mol
Exact Mass355.11
IUPAC Name(E)-N-[(E)-benzylideneamino]-3,4-diphenyl-1,3-thiazol-2-imine
SMILESC(=N/N=c1\scc(-c2ccccc2)n1-c1ccccc1)\c1ccccc1
InChIInChI=1S/C22H17N3S/c1-4-10-18(11-5-1)16-23-24-22-25(20-14-8-3-9-15-20)21(17-26-22)19-12-6-2-7-13-19/h1-17H/b23-16+,24-22-
InChIKeyOLULYOFTWMSNLU-NGAXQJCKSA-N
XLogP5.14
TPSA29.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.47
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-[(E)-benzylideneamino]-3,4-diphenyl-1,3-thiazol-2-imine?
The IUPAC name of (E)-N-[(E)-benzylideneamino]-3,4-diphenyl-1,3-thiazol-2-imine (CID 12677063) is (E)-N-[(E)-benzylideneamino]-3,4-diphenyl-1,3-thiazol-2-imine.
What is the SMILES notation for (E)-N-[(E)-benzylideneamino]-3,4-diphenyl-1,3-thiazol-2-imine?
The canonical SMILES for (E)-N-[(E)-benzylideneamino]-3,4-diphenyl-1,3-thiazol-2-imine is C(=N/N=c1\scc(-c2ccccc2)n1-c1ccccc1)\c1ccccc1.
What is the InChIKey of (E)-N-[(E)-benzylideneamino]-3,4-diphenyl-1,3-thiazol-2-imine?
The InChIKey is OLULYOFTWMSNLU-NGAXQJCKSA-N. The full InChI is InChI=1S/C22H17N3S/c1-4-10-18(11-5-1)16-23-24-22-25(20-14-8-3-9-15-20)21(17-26-22)19-12-6-2-7-13-19/h1-17H/b23-16+,24-22-.
What are the key properties of (E)-N-[(E)-benzylideneamino]-3,4-diphenyl-1,3-thiazol-2-imine?
(E)-N-[(E)-benzylideneamino]-3,4-diphenyl-1,3-thiazol-2-imine has a molecular weight of 355.47 g/mol, XLogP of 5.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(E)-benzylideneamino]-3,4-diphenyl-1,3-thiazol-2-imine is sourced from PubChem (CID 12677063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).