1-phenyl-N-(2-phenyl-1,3-thiazol-4-yl)methanimine

C16H12N2S — CID 75608335

IUPAC1-phenyl-N-(2-phenyl-1,3-thiazol-4-yl)methanimine
SMILESC(=Nc1csc(-c2ccccc2)n1)c1ccccc1
InChIInChI=1S/C16H12N2S/c1-3-7-13(8-4-1)11-17-15-12-19-16(18-15)14-9-5-2-6-10-14/h1-12H
InChIKeyIIGVTEMOQJLXHO-UHFFFAOYSA-N
MW264.35 g/mol
LogP4.56
Rot. Bonds3

About 1-phenyl-N-(2-phenyl-1,3-thiazol-4-yl)methanimine

1-phenyl-N-(2-phenyl-1,3-thiazol-4-yl)methanimine (PubChem CID 75608335) has the molecular formula C16H12N2S and a molecular weight of 264.35 g/mol. Its IUPAC name is 1-phenyl-N-(2-phenyl-1,3-thiazol-4-yl)methanimine.

Molecular Properties

Compound Name1-phenyl-N-(2-phenyl-1,3-thiazol-4-yl)methanimine
PubChem CID75608335
Molecular FormulaC16H12N2S
Molecular Weight264.35 g/mol
Exact Mass264.07
IUPAC Name1-phenyl-N-(2-phenyl-1,3-thiazol-4-yl)methanimine
SMILESC(=Nc1csc(-c2ccccc2)n1)c1ccccc1
InChIInChI=1S/C16H12N2S/c1-3-7-13(8-4-1)11-17-15-12-19-16(18-15)14-9-5-2-6-10-14/h1-12H
InChIKeyIIGVTEMOQJLXHO-UHFFFAOYSA-N
XLogP4.56
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 1-phenyl-N-(2-phenyl-1,3-thiazol-4-yl)methanimine?
The IUPAC name of 1-phenyl-N-(2-phenyl-1,3-thiazol-4-yl)methanimine (CID 75608335) is 1-phenyl-N-(2-phenyl-1,3-thiazol-4-yl)methanimine.
What is the SMILES notation for 1-phenyl-N-(2-phenyl-1,3-thiazol-4-yl)methanimine?
The canonical SMILES for 1-phenyl-N-(2-phenyl-1,3-thiazol-4-yl)methanimine is C(=Nc1csc(-c2ccccc2)n1)c1ccccc1.
What is the InChIKey of 1-phenyl-N-(2-phenyl-1,3-thiazol-4-yl)methanimine?
The InChIKey is IIGVTEMOQJLXHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2S/c1-3-7-13(8-4-1)11-17-15-12-19-16(18-15)14-9-5-2-6-10-14/h1-12H.
What are the key properties of 1-phenyl-N-(2-phenyl-1,3-thiazol-4-yl)methanimine?
1-phenyl-N-(2-phenyl-1,3-thiazol-4-yl)methanimine has a molecular weight of 264.35 g/mol, XLogP of 4.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-(2-phenyl-1,3-thiazol-4-yl)methanimine is sourced from PubChem (CID 75608335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).