6,7-dimethyl-6,7-dihydro-5H-thieno[3,2-b]azepine

C10H13NS — CID 123639444

IUPAC6,7-dimethyl-6,7-dihydro-5H-thieno[3,2-b]azepine
SMILESCC1C=c2sccc2=NCC1C
InChIInChI=1S/C10H13NS/c1-7-5-10-9(3-4-12-10)11-6-8(7)2/h3-5,7-8H,6H2,1-2H3
InChIKeyOELWCMZBLIXQCW-UHFFFAOYSA-N
MW179.29 g/mol
LogP1.43
Rot. Bonds

About 6,7-dimethyl-6,7-dihydro-5H-thieno[3,2-b]azepine

6,7-dimethyl-6,7-dihydro-5H-thieno[3,2-b]azepine (PubChem CID 123639444) has the molecular formula C10H13NS and a molecular weight of 179.29 g/mol. Its IUPAC name is 6,7-dimethyl-6,7-dihydro-5H-thieno[3,2-b]azepine.

Molecular Properties

Compound Name6,7-dimethyl-6,7-dihydro-5H-thieno[3,2-b]azepine
PubChem CID123639444
Molecular FormulaC10H13NS
Molecular Weight179.29 g/mol
Exact Mass179.08
IUPAC Name6,7-dimethyl-6,7-dihydro-5H-thieno[3,2-b]azepine
SMILESCC1C=c2sccc2=NCC1C
InChIInChI=1S/C10H13NS/c1-7-5-10-9(3-4-12-10)11-6-8(7)2/h3-5,7-8H,6H2,1-2H3
InChIKeyOELWCMZBLIXQCW-UHFFFAOYSA-N
XLogP1.43
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.29
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6,7-dimethyl-7H-thieno[3,2-b]azepine
CID 123404675
6-Propan-2-yl-8-thia-2,5-diazabicyclo[5.3.0]deca-1,3,4,6,9-pentaene
CID 138746138
(2Z)-N-ethyl-2-(3-methylbutan-2-ylidene)thiophen-3-imine
CID 153342696
6-Butan-2-yl-8-thia-2,5-diazabicyclo[5.3.0]deca-1,3,4,6,9-pentaene
CID 156215764
(2Z)-N-methyl-2-(3-methylbutan-2-ylidene)thiophen-3-imine
CID 172242064

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-6,7-dihydro-5H-thieno[3,2-b]azepine?
The IUPAC name of 6,7-dimethyl-6,7-dihydro-5H-thieno[3,2-b]azepine (CID 123639444) is 6,7-dimethyl-6,7-dihydro-5H-thieno[3,2-b]azepine.
What is the SMILES notation for 6,7-dimethyl-6,7-dihydro-5H-thieno[3,2-b]azepine?
The canonical SMILES for 6,7-dimethyl-6,7-dihydro-5H-thieno[3,2-b]azepine is CC1C=c2sccc2=NCC1C.
What is the InChIKey of 6,7-dimethyl-6,7-dihydro-5H-thieno[3,2-b]azepine?
The InChIKey is OELWCMZBLIXQCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NS/c1-7-5-10-9(3-4-12-10)11-6-8(7)2/h3-5,7-8H,6H2,1-2H3.
What are the key properties of 6,7-dimethyl-6,7-dihydro-5H-thieno[3,2-b]azepine?
6,7-dimethyl-6,7-dihydro-5H-thieno[3,2-b]azepine has a molecular weight of 179.29 g/mol, XLogP of 1.43, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-6,7-dihydro-5H-thieno[3,2-b]azepine is sourced from PubChem (CID 123639444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).