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

C9H11NS — CID 143900807

IUPAC5-methyl-3-methylidene-N-[(Z)-prop-1-enyl]thiophen-2-imine
SMILESC=C1C=C(C)S/C1=N\C=C/C
InChIInChI=1S/C9H11NS/c1-4-5-10-9-7(2)6-8(3)11-9/h4-6H,2H2,1,3H3/b5-4-,10-9-
InChIKeyZWDXQOJQPVLJLQ-ACHWKMRWSA-N
MW165.26 g/mol
LogP3.13
Rot. Bonds1

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

5-methyl-3-methylidene-N-[(Z)-prop-1-enyl]thiophen-2-imine (PubChem CID 143900807) has the molecular formula C9H11NS and a molecular weight of 165.26 g/mol. Its IUPAC name is 5-methyl-3-methylidene-N-[(Z)-prop-1-enyl]thiophen-2-imine.

Molecular Properties

Compound Name5-methyl-3-methylidene-N-[(Z)-prop-1-enyl]thiophen-2-imine
PubChem CID143900807
Molecular FormulaC9H11NS
Molecular Weight165.26 g/mol
Exact Mass165.06
IUPAC Name5-methyl-3-methylidene-N-[(Z)-prop-1-enyl]thiophen-2-imine
SMILESC=C1C=C(C)S/C1=N\C=C/C
InChIInChI=1S/C9H11NS/c1-4-5-10-9-7(2)6-8(3)11-9/h4-6H,2H2,1,3H3/b5-4-,10-9-
InChIKeyZWDXQOJQPVLJLQ-ACHWKMRWSA-N
XLogP3.13
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.26
LogP ≤ 53.13
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
(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
2H-thieno[2,3-b]azepine
CID 154275911

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-methylidene-N-[(Z)-prop-1-enyl]thiophen-2-imine?
The IUPAC name of 5-methyl-3-methylidene-N-[(Z)-prop-1-enyl]thiophen-2-imine (CID 143900807) is 5-methyl-3-methylidene-N-[(Z)-prop-1-enyl]thiophen-2-imine.
What is the SMILES notation for 5-methyl-3-methylidene-N-[(Z)-prop-1-enyl]thiophen-2-imine?
The canonical SMILES for 5-methyl-3-methylidene-N-[(Z)-prop-1-enyl]thiophen-2-imine is C=C1C=C(C)S/C1=N\C=C/C.
What is the InChIKey of 5-methyl-3-methylidene-N-[(Z)-prop-1-enyl]thiophen-2-imine?
The InChIKey is ZWDXQOJQPVLJLQ-ACHWKMRWSA-N. The full InChI is InChI=1S/C9H11NS/c1-4-5-10-9-7(2)6-8(3)11-9/h4-6H,2H2,1,3H3/b5-4-,10-9-.
What are the key properties of 5-methyl-3-methylidene-N-[(Z)-prop-1-enyl]thiophen-2-imine?
5-methyl-3-methylidene-N-[(Z)-prop-1-enyl]thiophen-2-imine has a molecular weight of 165.26 g/mol, XLogP of 3.13, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-methylidene-N-[(Z)-prop-1-enyl]thiophen-2-imine is sourced from PubChem (CID 143900807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).