(2Z,4E)-6-[(Z)-(2-ethylidene-4,5-dihydro-1-benzothiophen-3-ylidene)methyl]-N,5-dimethylhepta-2,4,6-trien-1-imine

C20H23NS — CID 144984591

IUPAC(2Z,4E)-6-[(Z)-(2-ethylidene-4,5-dihydro-1-benzothiophen-3-ylidene)methyl]-N,5-dimethylhepta-2,4,6-trien-1-imine
SMILESC=C(/C=c1/c2c(sc1=CC)C=CCC2)/C(C)=C/C=C\C=N\C
InChIInChI=1S/C20H23NS/c1-5-19-18(17-11-6-7-12-20(17)22-19)14-16(3)15(2)10-8-9-13-21-4/h5,7-10,12-14H,3,6,11H2,1-2,4H3/b9-8-,15-10+,18-14-,19-5?,21-13+
InChIKeyRFDUAHUYBPUGAA-HIVPBWCSSA-N
MW309.48 g/mol
LogP4.05
Rot. Bonds4

About (2Z,4E)-6-[(Z)-(2-ethylidene-4,5-dihydro-1-benzothiophen-3-ylidene)methyl]-N,5-dimethylhepta-2,4,6-trien-1-imine

(2Z,4E)-6-[(Z)-(2-ethylidene-4,5-dihydro-1-benzothiophen-3-ylidene)methyl]-N,5-dimethylhepta-2,4,6-trien-1-imine (PubChem CID 144984591) has the molecular formula C20H23NS and a molecular weight of 309.48 g/mol. Its IUPAC name is (2Z,4E)-6-[(Z)-(2-ethylidene-4,5-dihydro-1-benzothiophen-3-ylidene)methyl]-N,5-dimethylhepta-2,4,6-trien-1-imine.

Molecular Properties

Compound Name(2Z,4E)-6-[(Z)-(2-ethylidene-4,5-dihydro-1-benzothiophen-3-ylidene)methyl]-N,5-dimethylhepta-2,4,6-trien-1-imine
PubChem CID144984591
Molecular FormulaC20H23NS
Molecular Weight309.48 g/mol
Exact Mass309.16
IUPAC Name(2Z,4E)-6-[(Z)-(2-ethylidene-4,5-dihydro-1-benzothiophen-3-ylidene)methyl]-N,5-dimethylhepta-2,4,6-trien-1-imine
SMILESC=C(/C=c1/c2c(sc1=CC)C=CCC2)/C(C)=C/C=C\C=N\C
InChIInChI=1S/C20H23NS/c1-5-19-18(17-11-6-7-12-20(17)22-19)14-16(3)15(2)10-8-9-13-21-4/h5,7-10,12-14H,3,6,11H2,1-2,4H3/b9-8-,15-10+,18-14-,19-5?,21-13+
InChIKeyRFDUAHUYBPUGAA-HIVPBWCSSA-N
XLogP4.05
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.48
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2Z,4E)-6-[(Z)-(2-ethylidene-4,5-dihydro-1-benzothiophen-3-ylidene)methyl]-N,5-dimethylhepta-2,4,6-trien-1-imine with MolForge

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Launch Full Analysis

Related Compounds

(2E)-N-ethyl-3-(4-methylcyclohex-2-en-1-yl)sulfanylpenta-2,4-dien-1-imine;propane
CID 143703437
iridium;[(Z)-3-(3-methyl-4H-1-benzothiophen-4-id-2-yl)prop-2-enylidene]azanide
CID 162457479
(2E)-2-[(3E)-5-butyl-3-propylidenethiophen-2-ylidene]-N-methylpropan-1-imine
CID 169813524
(1E,11Z)-2-methyl-3-thia-9-azabicyclo[10.4.0]hexadeca-1,9,11,13,15-pentaene
CID 141866964

Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-6-[(Z)-(2-ethylidene-4,5-dihydro-1-benzothiophen-3-ylidene)methyl]-N,5-dimethylhepta-2,4,6-trien-1-imine?
The IUPAC name of (2Z,4E)-6-[(Z)-(2-ethylidene-4,5-dihydro-1-benzothiophen-3-ylidene)methyl]-N,5-dimethylhepta-2,4,6-trien-1-imine (CID 144984591) is (2Z,4E)-6-[(Z)-(2-ethylidene-4,5-dihydro-1-benzothiophen-3-ylidene)methyl]-N,5-dimethylhepta-2,4,6-trien-1-imine.
What is the SMILES notation for (2Z,4E)-6-[(Z)-(2-ethylidene-4,5-dihydro-1-benzothiophen-3-ylidene)methyl]-N,5-dimethylhepta-2,4,6-trien-1-imine?
The canonical SMILES for (2Z,4E)-6-[(Z)-(2-ethylidene-4,5-dihydro-1-benzothiophen-3-ylidene)methyl]-N,5-dimethylhepta-2,4,6-trien-1-imine is C=C(/C=c1/c2c(sc1=CC)C=CCC2)/C(C)=C/C=C\C=N\C.
What is the InChIKey of (2Z,4E)-6-[(Z)-(2-ethylidene-4,5-dihydro-1-benzothiophen-3-ylidene)methyl]-N,5-dimethylhepta-2,4,6-trien-1-imine?
The InChIKey is RFDUAHUYBPUGAA-HIVPBWCSSA-N. The full InChI is InChI=1S/C20H23NS/c1-5-19-18(17-11-6-7-12-20(17)22-19)14-16(3)15(2)10-8-9-13-21-4/h5,7-10,12-14H,3,6,11H2,1-2,4H3/b9-8-,15-10+,18-14-,19-5?,21-13+.
What are the key properties of (2Z,4E)-6-[(Z)-(2-ethylidene-4,5-dihydro-1-benzothiophen-3-ylidene)methyl]-N,5-dimethylhepta-2,4,6-trien-1-imine?
(2Z,4E)-6-[(Z)-(2-ethylidene-4,5-dihydro-1-benzothiophen-3-ylidene)methyl]-N,5-dimethylhepta-2,4,6-trien-1-imine has a molecular weight of 309.48 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-6-[(Z)-(2-ethylidene-4,5-dihydro-1-benzothiophen-3-ylidene)methyl]-N,5-dimethylhepta-2,4,6-trien-1-imine is sourced from PubChem (CID 144984591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).