ethane;(2E,4E)-3-ethenyl-N-methyl-5-(5-methylthiophen-3-yl)penta-2,4-dien-1-imine

C15H21NS — CID 142094465

IUPACethane;(2E,4E)-3-ethenyl-N-methyl-5-(5-methylthiophen-3-yl)penta-2,4-dien-1-imine
SMILESC=CC(/C=C/c1csc(C)c1)=C\C=N\C.CC
InChIInChI=1S/C13H15NS.C2H6/c1-4-12(7-8-14-3)5-6-13-9-11(2)15-10-13;1-2/h4-10H,1H2,2-3H3;1-2H3/b6-5+,12-7+,14-8+;
InChIKeyCLODREKXIYSBIN-RENIPXSHSA-N
MW247.41 g/mol
LogP4.91
Rot. Bonds4

About ethane;(2E,4E)-3-ethenyl-N-methyl-5-(5-methylthiophen-3-yl)penta-2,4-dien-1-imine

ethane;(2E,4E)-3-ethenyl-N-methyl-5-(5-methylthiophen-3-yl)penta-2,4-dien-1-imine (PubChem CID 142094465) has the molecular formula C15H21NS and a molecular weight of 247.41 g/mol. Its IUPAC name is ethane;(2E,4E)-3-ethenyl-N-methyl-5-(5-methylthiophen-3-yl)penta-2,4-dien-1-imine.

Molecular Properties

Compound Nameethane;(2E,4E)-3-ethenyl-N-methyl-5-(5-methylthiophen-3-yl)penta-2,4-dien-1-imine
PubChem CID142094465
Molecular FormulaC15H21NS
Molecular Weight247.41 g/mol
Exact Mass247.14
IUPAC Nameethane;(2E,4E)-3-ethenyl-N-methyl-5-(5-methylthiophen-3-yl)penta-2,4-dien-1-imine
SMILESC=CC(/C=C/c1csc(C)c1)=C\C=N\C.CC
InChIInChI=1S/C13H15NS.C2H6/c1-4-12(7-8-14-3)5-6-13-9-11(2)15-10-13;1-2/h4-10H,1H2,2-3H3;1-2H3/b6-5+,12-7+,14-8+;
InChIKeyCLODREKXIYSBIN-RENIPXSHSA-N
XLogP4.91
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.41
LogP ≤ 54.91
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'}

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Related Compounds

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CID 79603021
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1-[(1E,3E)-3-ethenylhexa-1,3,5-trienyl]-4-methylbenzene
CID 142164883
3-(5-methylthiophen-3-yl)prop-2-enenitrile
CID 169482992
4-(5-methylthiophen-3-yl)-N-propan-2-ylbut-3-en-1-amine
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(5-methylthiophen-3-yl)methylidenetitanium
CID 19351912
N-ethyl-4-(5-methylthiophen-3-yl)but-3-en-1-amine
CID 79590562
N-[3-(5-methylthiophen-3-yl)prop-2-enyl]acetamide
CID 169464817
N-(2-methoxyethyl)-4-(5-methylthiophen-3-yl)but-3-en-1-amine
CID 79598549
2-bromo-5-chloro-3-[2-(5-methylthiophen-3-yl)ethenyl]thiophene
CID 901511
4-bromo-2-methylthiophene;5-methylthiophene-3-carbaldehyde
CID 158194298
(2E)-N-methyl-3-(2-methyl-1H-indol-6-yl)penta-2,4-dien-1-imine
CID 153346419

Frequently Asked Questions

What is the IUPAC name of ethane;(2E,4E)-3-ethenyl-N-methyl-5-(5-methylthiophen-3-yl)penta-2,4-dien-1-imine?
The IUPAC name of ethane;(2E,4E)-3-ethenyl-N-methyl-5-(5-methylthiophen-3-yl)penta-2,4-dien-1-imine (CID 142094465) is ethane;(2E,4E)-3-ethenyl-N-methyl-5-(5-methylthiophen-3-yl)penta-2,4-dien-1-imine.
What is the SMILES notation for ethane;(2E,4E)-3-ethenyl-N-methyl-5-(5-methylthiophen-3-yl)penta-2,4-dien-1-imine?
The canonical SMILES for ethane;(2E,4E)-3-ethenyl-N-methyl-5-(5-methylthiophen-3-yl)penta-2,4-dien-1-imine is C=CC(/C=C/c1csc(C)c1)=C\C=N\C.CC.
What is the InChIKey of ethane;(2E,4E)-3-ethenyl-N-methyl-5-(5-methylthiophen-3-yl)penta-2,4-dien-1-imine?
The InChIKey is CLODREKXIYSBIN-RENIPXSHSA-N. The full InChI is InChI=1S/C13H15NS.C2H6/c1-4-12(7-8-14-3)5-6-13-9-11(2)15-10-13;1-2/h4-10H,1H2,2-3H3;1-2H3/b6-5+,12-7+,14-8+;.
What are the key properties of ethane;(2E,4E)-3-ethenyl-N-methyl-5-(5-methylthiophen-3-yl)penta-2,4-dien-1-imine?
ethane;(2E,4E)-3-ethenyl-N-methyl-5-(5-methylthiophen-3-yl)penta-2,4-dien-1-imine has a molecular weight of 247.41 g/mol, XLogP of 4.91, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2E,4E)-3-ethenyl-N-methyl-5-(5-methylthiophen-3-yl)penta-2,4-dien-1-imine is sourced from PubChem (CID 142094465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).