(2E)-2-ethylidene-N,4,5-trimethylthiophen-3-imine

C9H13NS — CID 143718216

IUPAC(2E)-2-ethylidene-N,4,5-trimethylthiophen-3-imine
SMILESC/C=C1/SC(C)=C(C)/C1=N\C
InChIInChI=1S/C9H13NS/c1-5-8-9(10-4)6(2)7(3)11-8/h5H,1-4H3/b8-5+,10-9+
InChIKeyMOPROADJWKGLJU-CPSCNVPRSA-N
MW167.28 g/mol
LogP3.00
Rot. Bonds

About (2E)-2-ethylidene-N,4,5-trimethylthiophen-3-imine

(2E)-2-ethylidene-N,4,5-trimethylthiophen-3-imine (PubChem CID 143718216) has the molecular formula C9H13NS and a molecular weight of 167.28 g/mol. Its IUPAC name is (2E)-2-ethylidene-N,4,5-trimethylthiophen-3-imine.

Molecular Properties

Compound Name(2E)-2-ethylidene-N,4,5-trimethylthiophen-3-imine
PubChem CID143718216
Molecular FormulaC9H13NS
Molecular Weight167.28 g/mol
Exact Mass167.08
IUPAC Name(2E)-2-ethylidene-N,4,5-trimethylthiophen-3-imine
SMILESC/C=C1/SC(C)=C(C)/C1=N\C
InChIInChI=1S/C9H13NS/c1-5-8-9(10-4)6(2)7(3)11-8/h5H,1-4H3/b8-5+,10-9+
InChIKeyMOPROADJWKGLJU-CPSCNVPRSA-N
XLogP3.00
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.28
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2E)-2-ethylidene-N,4,5-trimethylthiophen-3-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2Z)-N,4-dimethyl-2-(2-methylpropylidene)thiophen-3-imine
CID 139473668
(Z)-but-2-ene;ethane;(2E)-2-ethylidene-N,4,5-trimethylthiophen-3-imine
CID 143718215
N,5-dimethyl-2-propan-2-ylidenethiophen-3-imine;ethane
CID 143858138
(2E)-2-butan-2-ylidene-N,5-dimethylthiophen-3-imine;ethane
CID 143858158
(2E)-2-but-3-en-2-ylidene-N,5-dimethylthiophen-3-imine
CID 143858163
(2Z)-N-methyl-2-pentan-2-ylidenethiophen-3-imine
CID 163710913
ethane;N-ethyl-4-methyl-2-propan-2-ylidenethiophen-3-imine
CID 168228188
(3Z)-3-ethylidene-N,4,5-trimethylthiophen-2-imine
CID 143718093
N,5-dimethyl-2-propan-2-ylidenethiophen-3-imine
CID 143858139
(2E)-2-butan-2-ylidene-N,5-dimethylthiophen-3-imine
CID 143858159
N-ethyl-4-methyl-2-propan-2-ylidenethiophen-3-imine
CID 168228189

Frequently Asked Questions

What is the IUPAC name of (2E)-2-ethylidene-N,4,5-trimethylthiophen-3-imine?
The IUPAC name of (2E)-2-ethylidene-N,4,5-trimethylthiophen-3-imine (CID 143718216) is (2E)-2-ethylidene-N,4,5-trimethylthiophen-3-imine.
What is the SMILES notation for (2E)-2-ethylidene-N,4,5-trimethylthiophen-3-imine?
The canonical SMILES for (2E)-2-ethylidene-N,4,5-trimethylthiophen-3-imine is C/C=C1/SC(C)=C(C)/C1=N\C.
What is the InChIKey of (2E)-2-ethylidene-N,4,5-trimethylthiophen-3-imine?
The InChIKey is MOPROADJWKGLJU-CPSCNVPRSA-N. The full InChI is InChI=1S/C9H13NS/c1-5-8-9(10-4)6(2)7(3)11-8/h5H,1-4H3/b8-5+,10-9+.
What are the key properties of (2E)-2-ethylidene-N,4,5-trimethylthiophen-3-imine?
(2E)-2-ethylidene-N,4,5-trimethylthiophen-3-imine has a molecular weight of 167.28 g/mol, XLogP of 3.00, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-ethylidene-N,4,5-trimethylthiophen-3-imine is sourced from PubChem (CID 143718216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).