N-(1,3-benzothiazol-6-yl)-1,1-diphenylmethanimine

C20H14N2S — CID 175884989

IUPACN-(1,3-benzothiazol-6-yl)-1,1-diphenylmethanimine
SMILESc1ccc(C(=Nc2ccc3ncsc3c2)c2ccccc2)cc1
InChIInChI=1S/C20H14N2S/c1-3-7-15(8-4-1)20(16-9-5-2-6-10-16)22-17-11-12-18-19(13-17)23-14-21-18/h1-14H
InChIKeyMEELLZNWWJMAEK-UHFFFAOYSA-N
MW314.41 g/mol
LogP5.47
Rot. Bonds3

About N-(1,3-benzothiazol-6-yl)-1,1-diphenylmethanimine

N-(1,3-benzothiazol-6-yl)-1,1-diphenylmethanimine (PubChem CID 175884989) has the molecular formula C20H14N2S and a molecular weight of 314.41 g/mol. Its IUPAC name is N-(1,3-benzothiazol-6-yl)-1,1-diphenylmethanimine.

Molecular Properties

Compound NameN-(1,3-benzothiazol-6-yl)-1,1-diphenylmethanimine
PubChem CID175884989
Molecular FormulaC20H14N2S
Molecular Weight314.41 g/mol
Exact Mass314.09
IUPAC NameN-(1,3-benzothiazol-6-yl)-1,1-diphenylmethanimine
SMILESc1ccc(C(=Nc2ccc3ncsc3c2)c2ccccc2)cc1
InChIInChI=1S/C20H14N2S/c1-3-7-15(8-4-1)20(16-9-5-2-6-10-16)22-17-11-12-18-19(13-17)23-14-21-18/h1-14H
InChIKeyMEELLZNWWJMAEK-UHFFFAOYSA-N
XLogP5.47
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.41
LogP ≤ 55.47
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 N-(1,3-benzothiazol-6-yl)-1,1-diphenylmethanimine?
The IUPAC name of N-(1,3-benzothiazol-6-yl)-1,1-diphenylmethanimine (CID 175884989) is N-(1,3-benzothiazol-6-yl)-1,1-diphenylmethanimine.
What is the SMILES notation for N-(1,3-benzothiazol-6-yl)-1,1-diphenylmethanimine?
The canonical SMILES for N-(1,3-benzothiazol-6-yl)-1,1-diphenylmethanimine is c1ccc(C(=Nc2ccc3ncsc3c2)c2ccccc2)cc1.
What is the InChIKey of N-(1,3-benzothiazol-6-yl)-1,1-diphenylmethanimine?
The InChIKey is MEELLZNWWJMAEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2S/c1-3-7-15(8-4-1)20(16-9-5-2-6-10-16)22-17-11-12-18-19(13-17)23-14-21-18/h1-14H.
What are the key properties of N-(1,3-benzothiazol-6-yl)-1,1-diphenylmethanimine?
N-(1,3-benzothiazol-6-yl)-1,1-diphenylmethanimine has a molecular weight of 314.41 g/mol, XLogP of 5.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-6-yl)-1,1-diphenylmethanimine is sourced from PubChem (CID 175884989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).