5-ethyl-2,5-dimethylthieno[2,3-b]azepine

C12H15NS — CID 163724687

IUPAC5-ethyl-2,5-dimethylthieno[2,3-b]azepine
SMILESCCC1(C)C=CN=c2sc(C)cc2=C1
InChIInChI=1S/C12H15NS/c1-4-12(3)5-6-13-11-10(8-12)7-9(2)14-11/h5-8H,4H2,1-3H3
InChIKeyKUOSKISDUGTZGX-UHFFFAOYSA-N
MW205.33 g/mol
LogP2.40
Rot. Bonds1

About 5-ethyl-2,5-dimethylthieno[2,3-b]azepine

5-ethyl-2,5-dimethylthieno[2,3-b]azepine (PubChem CID 163724687) has the molecular formula C12H15NS and a molecular weight of 205.33 g/mol. Its IUPAC name is 5-ethyl-2,5-dimethylthieno[2,3-b]azepine.

Molecular Properties

Compound Name5-ethyl-2,5-dimethylthieno[2,3-b]azepine
PubChem CID163724687
Molecular FormulaC12H15NS
Molecular Weight205.33 g/mol
Exact Mass205.09
IUPAC Name5-ethyl-2,5-dimethylthieno[2,3-b]azepine
SMILESCCC1(C)C=CN=c2sc(C)cc2=C1
InChIInChI=1S/C12H15NS/c1-4-12(3)5-6-13-11-10(8-12)7-9(2)14-11/h5-8H,4H2,1-3H3
InChIKeyKUOSKISDUGTZGX-UHFFFAOYSA-N
XLogP2.40
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.33
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5,6-dimethyl-5H-thieno[2,3-b]azepine
CID 123293227
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
5-methyl-3-methylidene-N-[(Z)-prop-1-enyl]thiophen-2-imine
CID 143900807
5-ethyl-3-methylidene-N-[(Z)-prop-1-enyl]thiophen-2-imine
CID 144840803
2H-thieno[2,3-b]azepine
CID 154275911
(3E)-N-[(E)-but-1-enyl]-4,5-dimethyl-3-pentan-2-ylidenethiophen-2-imine
CID 154967455
(2E)-N-ethenyl-2-ethylidene-5H-cyclohepta[b]thiophen-3-imine
CID 166700947
(3Z)-3-ethylidene-5-methyl-N-[(Z)-prop-1-enyl]thiophen-2-imine
CID 168913675
(3aE,7Z)-2-methyl-5,6-dihydrothieno[2,3-b]azocine
CID 174079837
(3Z)-N-ethenyl-3-ethylidene-5-methylthiophen-2-imine
CID 142981535
(3Z)-N-[(E)-but-1-enyl]-3-ethylidene-4,5-dimethylthiophen-2-imine
CID 153628911

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2,5-dimethylthieno[2,3-b]azepine?
The IUPAC name of 5-ethyl-2,5-dimethylthieno[2,3-b]azepine (CID 163724687) is 5-ethyl-2,5-dimethylthieno[2,3-b]azepine.
What is the SMILES notation for 5-ethyl-2,5-dimethylthieno[2,3-b]azepine?
The canonical SMILES for 5-ethyl-2,5-dimethylthieno[2,3-b]azepine is CCC1(C)C=CN=c2sc(C)cc2=C1.
What is the InChIKey of 5-ethyl-2,5-dimethylthieno[2,3-b]azepine?
The InChIKey is KUOSKISDUGTZGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NS/c1-4-12(3)5-6-13-11-10(8-12)7-9(2)14-11/h5-8H,4H2,1-3H3.
What are the key properties of 5-ethyl-2,5-dimethylthieno[2,3-b]azepine?
5-ethyl-2,5-dimethylthieno[2,3-b]azepine has a molecular weight of 205.33 g/mol, XLogP of 2.40, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2,5-dimethylthieno[2,3-b]azepine is sourced from PubChem (CID 163724687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).