2,5-dimethyl-7H-thieno[2,3-d]azepine

C10H11NS — CID 167073594

IUPAC2,5-dimethyl-7H-thieno[2,3-d]azepine
SMILESCC1=NCC=c2sc(C)cc2=C1
InChIInChI=1S/C10H11NS/c1-7-5-9-6-8(2)12-10(9)3-4-11-7/h3,5-6H,4H2,1-2H3
InChIKeyVWXFIBZZYFYWNG-UHFFFAOYSA-N
MW177.27 g/mol
LogP1.09
Rot. Bonds

About 2,5-dimethyl-7H-thieno[2,3-d]azepine

2,5-dimethyl-7H-thieno[2,3-d]azepine (PubChem CID 167073594) has the molecular formula C10H11NS and a molecular weight of 177.27 g/mol. Its IUPAC name is 2,5-dimethyl-7H-thieno[2,3-d]azepine.

Molecular Properties

Compound Name2,5-dimethyl-7H-thieno[2,3-d]azepine
PubChem CID167073594
Molecular FormulaC10H11NS
Molecular Weight177.27 g/mol
Exact Mass177.06
IUPAC Name2,5-dimethyl-7H-thieno[2,3-d]azepine
SMILESCC1=NCC=c2sc(C)cc2=C1
InChIInChI=1S/C10H11NS/c1-7-5-9-6-8(2)12-10(9)3-4-11-7/h3,5-6H,4H2,1-2H3
InChIKeyVWXFIBZZYFYWNG-UHFFFAOYSA-N
XLogP1.09
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 ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-7H-thieno[2,3-d]azepine?
The IUPAC name of 2,5-dimethyl-7H-thieno[2,3-d]azepine (CID 167073594) is 2,5-dimethyl-7H-thieno[2,3-d]azepine.
What is the SMILES notation for 2,5-dimethyl-7H-thieno[2,3-d]azepine?
The canonical SMILES for 2,5-dimethyl-7H-thieno[2,3-d]azepine is CC1=NCC=c2sc(C)cc2=C1.
What is the InChIKey of 2,5-dimethyl-7H-thieno[2,3-d]azepine?
The InChIKey is VWXFIBZZYFYWNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NS/c1-7-5-9-6-8(2)12-10(9)3-4-11-7/h3,5-6H,4H2,1-2H3.
What are the key properties of 2,5-dimethyl-7H-thieno[2,3-d]azepine?
2,5-dimethyl-7H-thieno[2,3-d]azepine has a molecular weight of 177.27 g/mol, XLogP of 1.09, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-7H-thieno[2,3-d]azepine is sourced from PubChem (CID 167073594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).