3-benzyl-4-phenyl-N-(1-phenylethylideneamino)-1,3-thiazol-2-imine

C24H21N3S — CID 4127250

IUPAC3-benzyl-4-phenyl-N-(1-phenylethylideneamino)-1,3-thiazol-2-imine
SMILESCC(=NN=c1scc(-c2ccccc2)n1Cc1ccccc1)c1ccccc1
InChIInChI=1S/C24H21N3S/c1-19(21-13-7-3-8-14-21)25-26-24-27(17-20-11-5-2-6-12-20)23(18-28-24)22-15-9-4-10-16-22/h2-16,18H,17H2,1H3
InChIKeyLZUZXHIKNBOARF-UHFFFAOYSA-N
MW383.52 g/mol
LogP5.59
Rot. Bonds5

About 3-benzyl-4-phenyl-N-(1-phenylethylideneamino)-1,3-thiazol-2-imine

3-benzyl-4-phenyl-N-(1-phenylethylideneamino)-1,3-thiazol-2-imine (PubChem CID 4127250) has the molecular formula C24H21N3S and a molecular weight of 383.52 g/mol. Its IUPAC name is 3-benzyl-4-phenyl-N-(1-phenylethylideneamino)-1,3-thiazol-2-imine.

Molecular Properties

Compound Name3-benzyl-4-phenyl-N-(1-phenylethylideneamino)-1,3-thiazol-2-imine
PubChem CID4127250
Molecular FormulaC24H21N3S
Molecular Weight383.52 g/mol
Exact Mass383.15
IUPAC Name3-benzyl-4-phenyl-N-(1-phenylethylideneamino)-1,3-thiazol-2-imine
SMILESCC(=NN=c1scc(-c2ccccc2)n1Cc1ccccc1)c1ccccc1
InChIInChI=1S/C24H21N3S/c1-19(21-13-7-3-8-14-21)25-26-24-27(17-20-11-5-2-6-12-20)23(18-28-24)22-15-9-4-10-16-22/h2-16,18H,17H2,1H3
InChIKeyLZUZXHIKNBOARF-UHFFFAOYSA-N
XLogP5.59
TPSA29.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.52
LogP ≤ 55.59
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 3-benzyl-4-phenyl-N-(1-phenylethylideneamino)-1,3-thiazol-2-imine?
The IUPAC name of 3-benzyl-4-phenyl-N-(1-phenylethylideneamino)-1,3-thiazol-2-imine (CID 4127250) is 3-benzyl-4-phenyl-N-(1-phenylethylideneamino)-1,3-thiazol-2-imine.
What is the SMILES notation for 3-benzyl-4-phenyl-N-(1-phenylethylideneamino)-1,3-thiazol-2-imine?
The canonical SMILES for 3-benzyl-4-phenyl-N-(1-phenylethylideneamino)-1,3-thiazol-2-imine is CC(=NN=c1scc(-c2ccccc2)n1Cc1ccccc1)c1ccccc1.
What is the InChIKey of 3-benzyl-4-phenyl-N-(1-phenylethylideneamino)-1,3-thiazol-2-imine?
The InChIKey is LZUZXHIKNBOARF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3S/c1-19(21-13-7-3-8-14-21)25-26-24-27(17-20-11-5-2-6-12-20)23(18-28-24)22-15-9-4-10-16-22/h2-16,18H,17H2,1H3.
What are the key properties of 3-benzyl-4-phenyl-N-(1-phenylethylideneamino)-1,3-thiazol-2-imine?
3-benzyl-4-phenyl-N-(1-phenylethylideneamino)-1,3-thiazol-2-imine has a molecular weight of 383.52 g/mol, XLogP of 5.59, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-4-phenyl-N-(1-phenylethylideneamino)-1,3-thiazol-2-imine is sourced from PubChem (CID 4127250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).