(E)-N-methyl-2-phenyl-3-thiophen-2-ylprop-2-en-1-imine

C14H13NS — CID 135083692

IUPAC(E)-N-methyl-2-phenyl-3-thiophen-2-ylprop-2-en-1-imine
SMILESC/N=C/C(=C/c1cccs1)c1ccccc1
InChIInChI=1S/C14H13NS/c1-15-11-13(10-14-8-5-9-16-14)12-6-3-2-4-7-12/h2-11H,1H3/b13-10-,15-11+
InChIKeyPRQCZKODLHLBRT-KXIMDHCPSA-N
MW227.33 g/mol
LogP3.99
Rot. Bonds3

About (E)-N-methyl-2-phenyl-3-thiophen-2-ylprop-2-en-1-imine

(E)-N-methyl-2-phenyl-3-thiophen-2-ylprop-2-en-1-imine (PubChem CID 135083692) has the molecular formula C14H13NS and a molecular weight of 227.33 g/mol. Its IUPAC name is (E)-N-methyl-2-phenyl-3-thiophen-2-ylprop-2-en-1-imine.

Molecular Properties

Compound Name(E)-N-methyl-2-phenyl-3-thiophen-2-ylprop-2-en-1-imine
PubChem CID135083692
Molecular FormulaC14H13NS
Molecular Weight227.33 g/mol
Exact Mass227.08
IUPAC Name(E)-N-methyl-2-phenyl-3-thiophen-2-ylprop-2-en-1-imine
SMILESC/N=C/C(=C/c1cccs1)c1ccccc1
InChIInChI=1S/C14H13NS/c1-15-11-13(10-14-8-5-9-16-14)12-6-3-2-4-7-12/h2-11H,1H3/b13-10-,15-11+
InChIKeyPRQCZKODLHLBRT-KXIMDHCPSA-N
XLogP3.99
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Benzyl thiophene-2-carboximidothioate
CID 137656324
(NE)-N-[[3-[(E)-2-phenylethenyl]thiophen-2-yl]methylidene]hydroxylamine
CID 15033310
2-Propen-1-amine, N,N-dimethyl-3-phenyl-3-(2-thienyl)-, hydrochloride
CID 6445839
7-Methyl-4,5-dihydro-thieno[2,3-c]pyridine
CID 57423976
3-[(Methylamino)methylene]-5-phenylthiophene-2-thione
CID 3378967
2-phenyl-N-[(thiophen-2-yl)methylidene]ethane-1-sulfonamide
CID 9568134
Benzenemethanamine, N-(2-thienylmethylene)-
CID 2740077
N-tert-butyl-1-(2-fluoro-5-thiophen-3-ylphenyl)methanimine
CID 176435550
3-(Tert-butyliminomethyl)-5-phenylthiophene-2-thiol
CID 768827
benzyl N'-[(Z)-thiophen-2-ylmethylideneamino]carbamimidothioate
CID 5702455
benzyl N'-[(E)-thiophen-2-ylmethylideneamino]carbamimidothioate
CID 9580339
Phenyl-2-thienyldiazomethane
CID 12246538

Frequently Asked Questions

What is the IUPAC name of (E)-N-methyl-2-phenyl-3-thiophen-2-ylprop-2-en-1-imine?
The IUPAC name of (E)-N-methyl-2-phenyl-3-thiophen-2-ylprop-2-en-1-imine (CID 135083692) is (E)-N-methyl-2-phenyl-3-thiophen-2-ylprop-2-en-1-imine.
What is the SMILES notation for (E)-N-methyl-2-phenyl-3-thiophen-2-ylprop-2-en-1-imine?
The canonical SMILES for (E)-N-methyl-2-phenyl-3-thiophen-2-ylprop-2-en-1-imine is C/N=C/C(=C/c1cccs1)c1ccccc1.
What is the InChIKey of (E)-N-methyl-2-phenyl-3-thiophen-2-ylprop-2-en-1-imine?
The InChIKey is PRQCZKODLHLBRT-KXIMDHCPSA-N. The full InChI is InChI=1S/C14H13NS/c1-15-11-13(10-14-8-5-9-16-14)12-6-3-2-4-7-12/h2-11H,1H3/b13-10-,15-11+.
What are the key properties of (E)-N-methyl-2-phenyl-3-thiophen-2-ylprop-2-en-1-imine?
(E)-N-methyl-2-phenyl-3-thiophen-2-ylprop-2-en-1-imine has a molecular weight of 227.33 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methyl-2-phenyl-3-thiophen-2-ylprop-2-en-1-imine is sourced from PubChem (CID 135083692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).