5-ethyl-3-methylidene-N-[(Z)-prop-1-enyl]thiophen-2-imine

C10H13NS — CID 144840803

IUPAC5-ethyl-3-methylidene-N-[(Z)-prop-1-enyl]thiophen-2-imine
SMILESC=C1C=C(CC)S/C1=N\C=C/C
InChIInChI=1S/C10H13NS/c1-4-6-11-10-8(3)7-9(5-2)12-10/h4,6-7H,3,5H2,1-2H3/b6-4-,11-10-
InChIKeyXPKCSXLVUWAZAT-RCORZRHRSA-N
MW179.29 g/mol
LogP3.52
Rot. Bonds2

About 5-ethyl-3-methylidene-N-[(Z)-prop-1-enyl]thiophen-2-imine

5-ethyl-3-methylidene-N-[(Z)-prop-1-enyl]thiophen-2-imine (PubChem CID 144840803) has the molecular formula C10H13NS and a molecular weight of 179.29 g/mol. Its IUPAC name is 5-ethyl-3-methylidene-N-[(Z)-prop-1-enyl]thiophen-2-imine.

Molecular Properties

Compound Name5-ethyl-3-methylidene-N-[(Z)-prop-1-enyl]thiophen-2-imine
PubChem CID144840803
Molecular FormulaC10H13NS
Molecular Weight179.29 g/mol
Exact Mass179.08
IUPAC Name5-ethyl-3-methylidene-N-[(Z)-prop-1-enyl]thiophen-2-imine
SMILESC=C1C=C(CC)S/C1=N\C=C/C
InChIInChI=1S/C10H13NS/c1-4-6-11-10-8(3)7-9(5-2)12-10/h4,6-7H,3,5H2,1-2H3/b6-4-,11-10-
InChIKeyXPKCSXLVUWAZAT-RCORZRHRSA-N
XLogP3.52
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.29
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_C(85)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-phenyl-5-propan-2-yl-4H-1,3-thiazol-4-ide;bis(yttrium)
CID 59400358
2-[(2Z,4Z)-3-methylhepta-2,4,6-trienyl]-4,5-dihydro-1,3-thiazole
CID 88860328
3-but-2-en-2-ylsulfanyl-N-ethenyl-2-methylidenebut-3-en-1-imine
CID 124027459
N-ethenyl-5-propan-2-yl-3-propan-2-ylidenethiophen-2-imine
CID 129225415
ethane;(3Z)-N-ethenyl-3-ethylidene-5-methylthiophen-2-imine
CID 142981534
(Z)-but-2-ene;ethane;(3Z)-3-ethylidene-N,4,5-trimethylthiophen-2-imine
CID 143718092
5-methyl-3-methylidene-N-[(Z)-prop-1-enyl]thiophen-2-imine
CID 143900807
(3Z)-5-ethyl-N-methyl-3-propylidenethiophen-2-imine
CID 144699030
N-[(E)-[(3Z)-3-ethylidene-5-methylthiophen-2-ylidene]methyl]methanimine
CID 145629227
N,5-dimethyl-3-propan-2-ylidenethiophen-2-imine
CID 153342683
(3E)-N-ethyl-5-methyl-3-(3-methylbutan-2-ylidene)thiophen-2-imine
CID 153342788
2H-thieno[2,3-b]azepine
CID 154275911

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-methylidene-N-[(Z)-prop-1-enyl]thiophen-2-imine?
The IUPAC name of 5-ethyl-3-methylidene-N-[(Z)-prop-1-enyl]thiophen-2-imine (CID 144840803) is 5-ethyl-3-methylidene-N-[(Z)-prop-1-enyl]thiophen-2-imine.
What is the SMILES notation for 5-ethyl-3-methylidene-N-[(Z)-prop-1-enyl]thiophen-2-imine?
The canonical SMILES for 5-ethyl-3-methylidene-N-[(Z)-prop-1-enyl]thiophen-2-imine is C=C1C=C(CC)S/C1=N\C=C/C.
What is the InChIKey of 5-ethyl-3-methylidene-N-[(Z)-prop-1-enyl]thiophen-2-imine?
The InChIKey is XPKCSXLVUWAZAT-RCORZRHRSA-N. The full InChI is InChI=1S/C10H13NS/c1-4-6-11-10-8(3)7-9(5-2)12-10/h4,6-7H,3,5H2,1-2H3/b6-4-,11-10-.
What are the key properties of 5-ethyl-3-methylidene-N-[(Z)-prop-1-enyl]thiophen-2-imine?
5-ethyl-3-methylidene-N-[(Z)-prop-1-enyl]thiophen-2-imine has a molecular weight of 179.29 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-methylidene-N-[(Z)-prop-1-enyl]thiophen-2-imine is sourced from PubChem (CID 144840803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).