(3Z)-3-ethylidene-5-methyl-N-[(Z)-prop-1-enyl]thiophen-2-imine

C10H13NS — CID 168913675

IUPAC(3Z)-3-ethylidene-5-methyl-N-[(Z)-prop-1-enyl]thiophen-2-imine
SMILESC/C=C\N=C1/SC(C)=C/C1=C/C
InChIInChI=1S/C10H13NS/c1-4-6-11-10-9(5-2)7-8(3)12-10/h4-7H,1-3H3/b6-4-,9-5-,11-10-
InChIKeyJEQNLCVHLXRMGI-CFWAVAQISA-N
MW179.29 g/mol
LogP3.52
Rot. Bonds1

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

(3Z)-3-ethylidene-5-methyl-N-[(Z)-prop-1-enyl]thiophen-2-imine (PubChem CID 168913675) has the molecular formula C10H13NS and a molecular weight of 179.29 g/mol. Its IUPAC name is (3Z)-3-ethylidene-5-methyl-N-[(Z)-prop-1-enyl]thiophen-2-imine.

Molecular Properties

Compound Name(3Z)-3-ethylidene-5-methyl-N-[(Z)-prop-1-enyl]thiophen-2-imine
PubChem CID168913675
Molecular FormulaC10H13NS
Molecular Weight179.29 g/mol
Exact Mass179.08
IUPAC Name(3Z)-3-ethylidene-5-methyl-N-[(Z)-prop-1-enyl]thiophen-2-imine
SMILESC/C=C\N=C1/SC(C)=C/C1=C/C
InChIInChI=1S/C10H13NS/c1-4-6-11-10-9(5-2)7-8(3)12-10/h4-7H,1-3H3/b6-4-,9-5-,11-10-
InChIKeyJEQNLCVHLXRMGI-CFWAVAQISA-N
XLogP3.52
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
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
5-ethyl-3-methylidene-N-[(Z)-prop-1-enyl]thiophen-2-imine
CID 144840803
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

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-ethylidene-5-methyl-N-[(Z)-prop-1-enyl]thiophen-2-imine?
The IUPAC name of (3Z)-3-ethylidene-5-methyl-N-[(Z)-prop-1-enyl]thiophen-2-imine (CID 168913675) is (3Z)-3-ethylidene-5-methyl-N-[(Z)-prop-1-enyl]thiophen-2-imine.
What is the SMILES notation for (3Z)-3-ethylidene-5-methyl-N-[(Z)-prop-1-enyl]thiophen-2-imine?
The canonical SMILES for (3Z)-3-ethylidene-5-methyl-N-[(Z)-prop-1-enyl]thiophen-2-imine is C/C=C\N=C1/SC(C)=C/C1=C/C.
What is the InChIKey of (3Z)-3-ethylidene-5-methyl-N-[(Z)-prop-1-enyl]thiophen-2-imine?
The InChIKey is JEQNLCVHLXRMGI-CFWAVAQISA-N. The full InChI is InChI=1S/C10H13NS/c1-4-6-11-10-9(5-2)7-8(3)12-10/h4-7H,1-3H3/b6-4-,9-5-,11-10-.
What are the key properties of (3Z)-3-ethylidene-5-methyl-N-[(Z)-prop-1-enyl]thiophen-2-imine?
(3Z)-3-ethylidene-5-methyl-N-[(Z)-prop-1-enyl]thiophen-2-imine has a molecular weight of 179.29 g/mol, XLogP of 3.52, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-ethylidene-5-methyl-N-[(Z)-prop-1-enyl]thiophen-2-imine is sourced from PubChem (CID 168913675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).