(E)-N-methyl-3-phenyl-1-(5-thiophen-2-yl-3-pyridinyl)but-2-en-1-imine

C20H18N2S — CID 169265339

IUPAC(E)-N-methyl-3-phenyl-1-(5-thiophen-2-yl-3-pyridinyl)but-2-en-1-imine
SMILESC/N=C(\C=C(/C)c1ccccc1)c1cncc(-c2cccs2)c1
InChIInChI=1S/C20H18N2S/c1-15(16-7-4-3-5-8-16)11-19(21-2)17-12-18(14-22-13-17)20-9-6-10-23-20/h3-14H,1-2H3/b15-11+,21-19+
InChIKeyNKPBDKGDAPPGSJ-CTULZQENSA-N
MW318.45 g/mol
LogP5.33
Rot. Bonds4

About (E)-N-methyl-3-phenyl-1-(5-thiophen-2-yl-3-pyridinyl)but-2-en-1-imine

(E)-N-methyl-3-phenyl-1-(5-thiophen-2-yl-3-pyridinyl)but-2-en-1-imine (PubChem CID 169265339) has the molecular formula C20H18N2S and a molecular weight of 318.45 g/mol. Its IUPAC name is (E)-N-methyl-3-phenyl-1-(5-thiophen-2-yl-3-pyridinyl)but-2-en-1-imine.

Molecular Properties

Compound Name(E)-N-methyl-3-phenyl-1-(5-thiophen-2-yl-3-pyridinyl)but-2-en-1-imine
PubChem CID169265339
Molecular FormulaC20H18N2S
Molecular Weight318.45 g/mol
Exact Mass318.12
IUPAC Name(E)-N-methyl-3-phenyl-1-(5-thiophen-2-yl-3-pyridinyl)but-2-en-1-imine
SMILESC/N=C(\C=C(/C)c1ccccc1)c1cncc(-c2cccs2)c1
InChIInChI=1S/C20H18N2S/c1-15(16-7-4-3-5-8-16)11-19(21-2)17-12-18(14-22-13-17)20-9-6-10-23-20/h3-14H,1-2H3/b15-11+,21-19+
InChIKeyNKPBDKGDAPPGSJ-CTULZQENSA-N
XLogP5.33
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.45
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-propyl-5-thiophen-2-ylpyridine-3-carboxamide
CID 117083319
5-thiophen-2-ylpyridine-3-carbaldehyde
CID 11805508
3-(5-phenylfuran-2-yl)-5-thiophen-2-ylpyridine
CID 169265449
5-phenyl-N-(3-thiophen-2-ylphenyl)pyridine-3-carboxamide
CID 141273560
(E)-3-[5-(3-chlorophenyl)-3-pyridinyl]but-2-enoic acid
CID 82543977
[(1R)-1-[[(2S,3R)-3-hydroxy-2-[(5-thiophen-2-ylpyridine-3-carbonyl)amino]butanoyl]amino]-3-methylbutyl]boronic acid
CID 11676094
2-[3-[3-(3-phenyl-5-thiophen-2-ylphenyl)phenyl]phenyl]pyridine
CID 140587162
2-oxo-2-(3-thiophen-2-ylphenyl)acetaldehyde
CID 175780722
4-tert-butyl-N-[(5-thiophen-2-yl-3-pyridinyl)methyl]benzamide
CID 91630658
(E)-2-methyl-3-(5-thiophen-2-yl-1H-pyrazol-4-yl)prop-2-enoic acid
CID 131619925
2-methyl-N-prop-2-enyl-6-(5-thiophen-2-yl-3-pyridinyl)pyrimidin-4-amine
CID 4160403
2-[3-(3,5-dithiophen-2-ylphenyl)-5-thiophen-2-ylphenyl]thiophene
CID 25194793

Frequently Asked Questions

What is the IUPAC name of (E)-N-methyl-3-phenyl-1-(5-thiophen-2-yl-3-pyridinyl)but-2-en-1-imine?
The IUPAC name of (E)-N-methyl-3-phenyl-1-(5-thiophen-2-yl-3-pyridinyl)but-2-en-1-imine (CID 169265339) is (E)-N-methyl-3-phenyl-1-(5-thiophen-2-yl-3-pyridinyl)but-2-en-1-imine.
What is the SMILES notation for (E)-N-methyl-3-phenyl-1-(5-thiophen-2-yl-3-pyridinyl)but-2-en-1-imine?
The canonical SMILES for (E)-N-methyl-3-phenyl-1-(5-thiophen-2-yl-3-pyridinyl)but-2-en-1-imine is C/N=C(\C=C(/C)c1ccccc1)c1cncc(-c2cccs2)c1.
What is the InChIKey of (E)-N-methyl-3-phenyl-1-(5-thiophen-2-yl-3-pyridinyl)but-2-en-1-imine?
The InChIKey is NKPBDKGDAPPGSJ-CTULZQENSA-N. The full InChI is InChI=1S/C20H18N2S/c1-15(16-7-4-3-5-8-16)11-19(21-2)17-12-18(14-22-13-17)20-9-6-10-23-20/h3-14H,1-2H3/b15-11+,21-19+.
What are the key properties of (E)-N-methyl-3-phenyl-1-(5-thiophen-2-yl-3-pyridinyl)but-2-en-1-imine?
(E)-N-methyl-3-phenyl-1-(5-thiophen-2-yl-3-pyridinyl)but-2-en-1-imine has a molecular weight of 318.45 g/mol, XLogP of 5.33, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methyl-3-phenyl-1-(5-thiophen-2-yl-3-pyridinyl)but-2-en-1-imine is sourced from PubChem (CID 169265339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).