N-(benzylideneamino)-1-thiophen-2-ylethanimine

C13H12N2S — CID 4212396

IUPACN-(benzylideneamino)-1-thiophen-2-ylethanimine
SMILESCC(=NN=Cc1ccccc1)c1cccs1
InChIInChI=1S/C13H12N2S/c1-11(13-8-5-9-16-13)15-14-10-12-6-3-2-4-7-12/h2-10H,1H3
InChIKeyGHVLKMSQCWAYTI-UHFFFAOYSA-N
MW228.32 g/mol
LogP3.59
Rot. Bonds3

About N-(benzylideneamino)-1-thiophen-2-ylethanimine

N-(benzylideneamino)-1-thiophen-2-ylethanimine (PubChem CID 4212396) has the molecular formula C13H12N2S and a molecular weight of 228.32 g/mol. Its IUPAC name is N-(benzylideneamino)-1-thiophen-2-ylethanimine.

Molecular Properties

Compound NameN-(benzylideneamino)-1-thiophen-2-ylethanimine
PubChem CID4212396
Molecular FormulaC13H12N2S
Molecular Weight228.32 g/mol
Exact Mass228.07
IUPAC NameN-(benzylideneamino)-1-thiophen-2-ylethanimine
SMILESCC(=NN=Cc1ccccc1)c1cccs1
InChIInChI=1S/C13H12N2S/c1-11(13-8-5-9-16-13)15-14-10-12-6-3-2-4-7-12/h2-10H,1H3
InChIKeyGHVLKMSQCWAYTI-UHFFFAOYSA-N
XLogP3.59
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[(E)-benzylideneamino]-1-phenylethanimine
CID 177482711
(Z)-N-[(Z)-benzylideneamino]-1-[5-[(E)-N-[(Z)-benzylideneamino]-C-methylcarbonimidoyl]furan-2-yl]ethanimine
CID 59973061
(Z)-N-[(Z)-benzylideneamino]-1-[5-[(E)-N-[(Z)-benzylideneamino]-C-methylcarbonimidoyl]-1-methylpyrrol-2-yl]ethanimine
CID 59883865
(Z)-N-[(Z)-benzylideneamino]-1-[5-[(E)-N-[(Z)-benzylideneamino]-C-methylcarbonimidoyl]-1-methylpyrrol-2-yl]ethanimine
CID 172930887
1-thiophen-2-ylprop-1-en-1-ol
CID 68622229
2-[N-(diphenylphosphinothioylamino)-C-methylcarbonimidoyl]thiophene
CID 5222942
(1-thiophen-2-ylethylideneamino) benzenesulfonate
CID 87078851
N-(4-phenylbut-3-en-2-ylideneamino)thiophene-2-carboxamide
CID 711620
2-[(E)-benzylideneamino]guanidine;hydrobromide
CID 75485430
(NZ)-N-[(3Z)-2-[(E)-benzylidenehydrazinylidene]-3-hydroxyiminopropylidene]hydroxylamine
CID 136815583
1-phenyl-N-thiophen-2-ylmethanimine
CID 163586677
(Z)-N-[(Z)-benzylideneamino]-1-(triphenyl-λ5-phosphanylidene)propan-2-imine
CID 134876722

Frequently Asked Questions

What is the IUPAC name of N-(benzylideneamino)-1-thiophen-2-ylethanimine?
The IUPAC name of N-(benzylideneamino)-1-thiophen-2-ylethanimine (CID 4212396) is N-(benzylideneamino)-1-thiophen-2-ylethanimine.
What is the SMILES notation for N-(benzylideneamino)-1-thiophen-2-ylethanimine?
The canonical SMILES for N-(benzylideneamino)-1-thiophen-2-ylethanimine is CC(=NN=Cc1ccccc1)c1cccs1.
What is the InChIKey of N-(benzylideneamino)-1-thiophen-2-ylethanimine?
The InChIKey is GHVLKMSQCWAYTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2S/c1-11(13-8-5-9-16-13)15-14-10-12-6-3-2-4-7-12/h2-10H,1H3.
What are the key properties of N-(benzylideneamino)-1-thiophen-2-ylethanimine?
N-(benzylideneamino)-1-thiophen-2-ylethanimine has a molecular weight of 228.32 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzylideneamino)-1-thiophen-2-ylethanimine is sourced from PubChem (CID 4212396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).