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

C10H11NS — CID 123404675

IUPAC6,7-dimethyl-7H-thieno[3,2-b]azepine
SMILESCC1=CN=c2ccsc2=CC1C
InChIInChI=1S/C10H11NS/c1-7-5-10-9(3-4-12-10)11-6-8(7)2/h3-7H,1-2H3
InChIKeyQXYQZZYMQLAMNG-UHFFFAOYSA-N
MW177.27 g/mol
LogP1.70
Rot. Bonds

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

6,7-dimethyl-7H-thieno[3,2-b]azepine (PubChem CID 123404675) has the molecular formula C10H11NS and a molecular weight of 177.27 g/mol. Its IUPAC name is 6,7-dimethyl-7H-thieno[3,2-b]azepine.

Molecular Properties

Compound Name6,7-dimethyl-7H-thieno[3,2-b]azepine
PubChem CID123404675
Molecular FormulaC10H11NS
Molecular Weight177.27 g/mol
Exact Mass177.06
IUPAC Name6,7-dimethyl-7H-thieno[3,2-b]azepine
SMILESCC1=CN=c2ccsc2=CC1C
InChIInChI=1S/C10H11NS/c1-7-5-10-9(3-4-12-10)11-6-8(7)2/h3-7H,1-2H3
InChIKeyQXYQZZYMQLAMNG-UHFFFAOYSA-N
XLogP1.70
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 51.70
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
6,7-dimethyl-6,7-dihydro-5H-thieno[3,2-b]azepine
CID 123639444
6-Ethyl-8-thia-3-azabicyclo[5.3.0]deca-1,3,4,6,9-pentaene
CID 138722119
6-Propan-2-yl-10-thia-3-azabicyclo[5.3.0]deca-1,3,4,6,8-pentaene
CID 138722173
6-Propan-2-yl-8-thia-3-azabicyclo[5.3.0]deca-1,3,4,6,9-pentaene
CID 138722175
6-Propan-2-yl-8-thia-2,5-diazabicyclo[5.3.0]deca-1,3,4,6,9-pentaene
CID 138746138
(2Z)-4-methyl-2-(3-methylbutan-2-ylidene)-N-[(E)-2-methylbut-1-enyl]thiophen-3-imine
CID 139473671
(2Z)-N-ethyl-2-(3-methylbutan-2-ylidene)thiophen-3-imine
CID 153342696
(2Z)-N-ethenyl-4-methyl-2-(3-methylbutan-2-ylidene)thiophen-3-imine
CID 153342757
2H-thieno[2,3-c][1]benzazepine
CID 154447875
6-Butan-2-yl-8-thia-2,5-diazabicyclo[5.3.0]deca-1,3,4,6,9-pentaene
CID 156215764
(2Z)-N-ethenyl-2-(3-methylbutan-2-ylidene)thiophen-3-imine
CID 170732057

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-7H-thieno[3,2-b]azepine?
The IUPAC name of 6,7-dimethyl-7H-thieno[3,2-b]azepine (CID 123404675) is 6,7-dimethyl-7H-thieno[3,2-b]azepine.
What is the SMILES notation for 6,7-dimethyl-7H-thieno[3,2-b]azepine?
The canonical SMILES for 6,7-dimethyl-7H-thieno[3,2-b]azepine is CC1=CN=c2ccsc2=CC1C.
What is the InChIKey of 6,7-dimethyl-7H-thieno[3,2-b]azepine?
The InChIKey is QXYQZZYMQLAMNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NS/c1-7-5-10-9(3-4-12-10)11-6-8(7)2/h3-7H,1-2H3.
What are the key properties of 6,7-dimethyl-7H-thieno[3,2-b]azepine?
6,7-dimethyl-7H-thieno[3,2-b]azepine has a molecular weight of 177.27 g/mol, XLogP of 1.70, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-7H-thieno[3,2-b]azepine is sourced from PubChem (CID 123404675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).