(2E)-2-butan-2-ylidene-N,5-dimethylthiophen-3-imine

C10H15NS — CID 143858159

IUPAC(2E)-2-butan-2-ylidene-N,5-dimethylthiophen-3-imine
SMILESCC/C(C)=C1/SC(C)=C/C1=N\C
InChIInChI=1S/C10H15NS/c1-5-7(2)10-9(11-4)6-8(3)12-10/h6H,5H2,1-4H3/b10-7+,11-9+
InChIKeyHYZQAWRNIMAARI-PPZOTWNKSA-N
MW181.30 g/mol
LogP3.39
Rot. Bonds1

About (2E)-2-butan-2-ylidene-N,5-dimethylthiophen-3-imine

(2E)-2-butan-2-ylidene-N,5-dimethylthiophen-3-imine (PubChem CID 143858159) has the molecular formula C10H15NS and a molecular weight of 181.30 g/mol. Its IUPAC name is (2E)-2-butan-2-ylidene-N,5-dimethylthiophen-3-imine.

Molecular Properties

Compound Name(2E)-2-butan-2-ylidene-N,5-dimethylthiophen-3-imine
PubChem CID143858159
Molecular FormulaC10H15NS
Molecular Weight181.30 g/mol
Exact Mass181.09
IUPAC Name(2E)-2-butan-2-ylidene-N,5-dimethylthiophen-3-imine
SMILESCC/C(C)=C1/SC(C)=C/C1=N\C
InChIInChI=1S/C10H15NS/c1-5-7(2)10-9(11-4)6-8(3)12-10/h6H,5H2,1-4H3/b10-7+,11-9+
InChIKeyHYZQAWRNIMAARI-PPZOTWNKSA-N
XLogP3.39
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.30
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2E)-2-butan-2-ylidene-N,5-dimethylthiophen-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

N-methyl-2-(2-methylidenebutylidene)thiophen-3-imine
CID 123630813
(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;ethane
CID 143858162
(2E)-2-but-3-en-2-ylidene-N,5-dimethylthiophen-3-imine
CID 143858163
ethane;(2Z)-N-ethyl-5-methyl-2-(3-methylbutan-2-ylidene)thiophen-3-imine
CID 153342777
(2Z)-N-ethyl-5-methyl-2-(3-methylbutan-2-ylidene)thiophen-3-imine
CID 153342778
(2Z)-N-methyl-2-pentan-2-ylidenethiophen-3-imine
CID 163710913
2,5-dimethyl-7H-thieno[2,3-d]azepine
CID 167073594
ethane;N-ethyl-2-propan-2-ylidenethiophen-3-imine
CID 170732073

Frequently Asked Questions

What is the IUPAC name of (2E)-2-butan-2-ylidene-N,5-dimethylthiophen-3-imine?
The IUPAC name of (2E)-2-butan-2-ylidene-N,5-dimethylthiophen-3-imine (CID 143858159) is (2E)-2-butan-2-ylidene-N,5-dimethylthiophen-3-imine.
What is the SMILES notation for (2E)-2-butan-2-ylidene-N,5-dimethylthiophen-3-imine?
The canonical SMILES for (2E)-2-butan-2-ylidene-N,5-dimethylthiophen-3-imine is CC/C(C)=C1/SC(C)=C/C1=N\C.
What is the InChIKey of (2E)-2-butan-2-ylidene-N,5-dimethylthiophen-3-imine?
The InChIKey is HYZQAWRNIMAARI-PPZOTWNKSA-N. The full InChI is InChI=1S/C10H15NS/c1-5-7(2)10-9(11-4)6-8(3)12-10/h6H,5H2,1-4H3/b10-7+,11-9+.
What are the key properties of (2E)-2-butan-2-ylidene-N,5-dimethylthiophen-3-imine?
(2E)-2-butan-2-ylidene-N,5-dimethylthiophen-3-imine has a molecular weight of 181.30 g/mol, XLogP of 3.39, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-butan-2-ylidene-N,5-dimethylthiophen-3-imine is sourced from PubChem (CID 143858159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).