(Z)-N-[(E)-[5-[(E)-[(Z)-benzylidenehydrazinylidene]methyl]thiophen-2-yl]methylideneamino]-1-phenylmethanimine

C20H16N4S — CID 59973054

IUPAC(Z)-N-[(E)-[5-[(E)-[(Z)-benzylidenehydrazinylidene]methyl]thiophen-2-yl]methylideneamino]-1-phenylmethanimine
SMILESC(=N\N=C\c1ccc(/C=N/N=C\c2ccccc2)s1)\c1ccccc1
InChIInChI=1S/C20H16N4S/c1-3-7-17(8-4-1)13-21-23-15-19-11-12-20(25-19)16-24-22-14-18-9-5-2-6-10-18/h1-16H/b21-13-,22-14-,23-15+,24-16+
InChIKeyMVVSUJMDZVNSQL-WVIHCJSRSA-N
MW344.44 g/mol
LogP4.65
Rot. Bonds6

About (Z)-N-[(E)-[5-[(E)-[(Z)-benzylidenehydrazinylidene]methyl]thiophen-2-yl]methylideneamino]-1-phenylmethanimine

(Z)-N-[(E)-[5-[(E)-[(Z)-benzylidenehydrazinylidene]methyl]thiophen-2-yl]methylideneamino]-1-phenylmethanimine (PubChem CID 59973054) has the molecular formula C20H16N4S and a molecular weight of 344.44 g/mol. Its IUPAC name is (Z)-N-[(E)-[5-[(E)-[(Z)-benzylidenehydrazinylidene]methyl]thiophen-2-yl]methylideneamino]-1-phenylmethanimine.

Molecular Properties

Compound Name(Z)-N-[(E)-[5-[(E)-[(Z)-benzylidenehydrazinylidene]methyl]thiophen-2-yl]methylideneamino]-1-phenylmethanimine
PubChem CID59973054
Molecular FormulaC20H16N4S
Molecular Weight344.44 g/mol
Exact Mass344.11
IUPAC Name(Z)-N-[(E)-[5-[(E)-[(Z)-benzylidenehydrazinylidene]methyl]thiophen-2-yl]methylideneamino]-1-phenylmethanimine
SMILESC(=N\N=C\c1ccc(/C=N/N=C\c2ccccc2)s1)\c1ccccc1
InChIInChI=1S/C20H16N4S/c1-3-7-17(8-4-1)13-21-23-15-19-11-12-20(25-19)16-24-22-14-18-9-5-2-6-10-18/h1-16H/b21-13-,22-14-,23-15+,24-16+
InChIKeyMVVSUJMDZVNSQL-WVIHCJSRSA-N
XLogP4.65
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (Z)-N-[(E)-[5-[(E)-[(Z)-benzylidenehydrazinylidene]methyl]thiophen-2-yl]methylideneamino]-1-phenylmethanimine with MolForge

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Related Compounds

methyl (NE,1Z)-N-benzylidenemethanehydrazonate
CID 143179521
N-oxido-1-phenylmethanimine
CID 3712496
2-[(E)-benzylideneamino]guanidine;hydrobromide
CID 75485430
copper (E)-N-oxido-1-phenylmethanimine
CID 146166650
(E)-N-[(E)-furan-2-ylmethylideneamino]-1-phenylmethanimine
CID 46707076
(E)-N-[(E)-(4-nitrophenyl)methylideneamino]-1-phenylmethanimine
CID 139599955
ethane;N-methyl-1-phenylmethanimine
CID 90887000
(NZ)-N-[(3Z)-2-[(E)-benzylidenehydrazinylidene]-3-hydroxyiminopropylidene]hydroxylamine
CID 136815583
(Z)-1-phenyl-N-pyrrol-1-ylmethanimine
CID 5374198
N,1-diphenylmethanimine
CID 10858
(E)-N-[(E)-benzylideneamino]-1-phenylethanimine
CID 177482711
(Z)-N-[(Z)-benzylideneamino]-1-[5-[(E)-N-[(Z)-benzylideneamino]-C-methylcarbonimidoyl]-1-methylpyrrol-2-yl]ethanimine
CID 59883865

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[(E)-[5-[(E)-[(Z)-benzylidenehydrazinylidene]methyl]thiophen-2-yl]methylideneamino]-1-phenylmethanimine?
The IUPAC name of (Z)-N-[(E)-[5-[(E)-[(Z)-benzylidenehydrazinylidene]methyl]thiophen-2-yl]methylideneamino]-1-phenylmethanimine (CID 59973054) is (Z)-N-[(E)-[5-[(E)-[(Z)-benzylidenehydrazinylidene]methyl]thiophen-2-yl]methylideneamino]-1-phenylmethanimine.
What is the SMILES notation for (Z)-N-[(E)-[5-[(E)-[(Z)-benzylidenehydrazinylidene]methyl]thiophen-2-yl]methylideneamino]-1-phenylmethanimine?
The canonical SMILES for (Z)-N-[(E)-[5-[(E)-[(Z)-benzylidenehydrazinylidene]methyl]thiophen-2-yl]methylideneamino]-1-phenylmethanimine is C(=N\N=C\c1ccc(/C=N/N=C\c2ccccc2)s1)\c1ccccc1.
What is the InChIKey of (Z)-N-[(E)-[5-[(E)-[(Z)-benzylidenehydrazinylidene]methyl]thiophen-2-yl]methylideneamino]-1-phenylmethanimine?
The InChIKey is MVVSUJMDZVNSQL-WVIHCJSRSA-N. The full InChI is InChI=1S/C20H16N4S/c1-3-7-17(8-4-1)13-21-23-15-19-11-12-20(25-19)16-24-22-14-18-9-5-2-6-10-18/h1-16H/b21-13-,22-14-,23-15+,24-16+.
What are the key properties of (Z)-N-[(E)-[5-[(E)-[(Z)-benzylidenehydrazinylidene]methyl]thiophen-2-yl]methylideneamino]-1-phenylmethanimine?
(Z)-N-[(E)-[5-[(E)-[(Z)-benzylidenehydrazinylidene]methyl]thiophen-2-yl]methylideneamino]-1-phenylmethanimine has a molecular weight of 344.44 g/mol, XLogP of 4.65, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(E)-[5-[(E)-[(Z)-benzylidenehydrazinylidene]methyl]thiophen-2-yl]methylideneamino]-1-phenylmethanimine is sourced from PubChem (CID 59973054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).