2-bromo-5-methyl-4,6,7,8-tetrahydrothieno[3,2-c]azepine

C9H12BrNS — CID 82384737

IUPAC2-bromo-5-methyl-4,6,7,8-tetrahydrothieno[3,2-c]azepine
SMILESCN1CCCc2sc(Br)cc2C1
InChIInChI=1S/C9H12BrNS/c1-11-4-2-3-8-7(6-11)5-9(10)12-8/h5H,2-4,6H2,1H3
InChIKeyHAUYINBOHGLSTK-UHFFFAOYSA-N
MW246.17 g/mol
LogP2.89
Rot. Bonds

About 2-bromo-5-methyl-4,6,7,8-tetrahydrothieno[3,2-c]azepine

2-bromo-5-methyl-4,6,7,8-tetrahydrothieno[3,2-c]azepine (PubChem CID 82384737) has the molecular formula C9H12BrNS and a molecular weight of 246.17 g/mol. Its IUPAC name is 2-bromo-5-methyl-4,6,7,8-tetrahydrothieno[3,2-c]azepine.

Molecular Properties

Compound Name2-bromo-5-methyl-4,6,7,8-tetrahydrothieno[3,2-c]azepine
PubChem CID82384737
Molecular FormulaC9H12BrNS
Molecular Weight246.17 g/mol
Exact Mass244.99
IUPAC Name2-bromo-5-methyl-4,6,7,8-tetrahydrothieno[3,2-c]azepine
SMILESCN1CCCc2sc(Br)cc2C1
InChIInChI=1S/C9H12BrNS/c1-11-4-2-3-8-7(6-11)5-9(10)12-8/h5H,2-4,6H2,1H3
InChIKeyHAUYINBOHGLSTK-UHFFFAOYSA-N
XLogP2.89
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.17
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-bromo-5-methyl-4,6,7,8-tetrahydrothieno[3,2-c]azepine with MolForge

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Launch Full Analysis

Related Compounds

5-methyl-2-piperidin-4-yl-4,6,7,8-tetrahydrothieno[3,2-c]azepine
CID 82382650
4-(2-bromo-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,6-dimethylaniline
CID 123813619
2-amino-1-(2-bromo-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one
CID 102548538
(Z)-1-(5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl)prop-1-en-1-ol
CID 163583514
6-bromo-1,2-dimethyl-3,4-dihydrothieno[3,2-c]pyridazine
CID 58095862
2-(5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl)propanenitrile
CID 84779244
(5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl) acetate
CID 118203485
N-(2-bromo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1-methylpyrrolidin-3-amine
CID 82690392
methyl 2-(2-bromo-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-hydroxybutanoate
CID 167980859
2-methyl-1,3,4,5-tetrahydro-[1]benzothiolo[2,3-c]azepine
CID 155294664
5-ethyl-4,6,7,8-tetrahydrothieno[3,2-c]azepin-2-amine
CID 13277390
6-bromo-2-methyl-3,4-dihydro-1H-isoquinoline
CID 53408381

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-methyl-4,6,7,8-tetrahydrothieno[3,2-c]azepine?
The IUPAC name of 2-bromo-5-methyl-4,6,7,8-tetrahydrothieno[3,2-c]azepine (CID 82384737) is 2-bromo-5-methyl-4,6,7,8-tetrahydrothieno[3,2-c]azepine.
What is the SMILES notation for 2-bromo-5-methyl-4,6,7,8-tetrahydrothieno[3,2-c]azepine?
The canonical SMILES for 2-bromo-5-methyl-4,6,7,8-tetrahydrothieno[3,2-c]azepine is CN1CCCc2sc(Br)cc2C1.
What is the InChIKey of 2-bromo-5-methyl-4,6,7,8-tetrahydrothieno[3,2-c]azepine?
The InChIKey is HAUYINBOHGLSTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNS/c1-11-4-2-3-8-7(6-11)5-9(10)12-8/h5H,2-4,6H2,1H3.
What are the key properties of 2-bromo-5-methyl-4,6,7,8-tetrahydrothieno[3,2-c]azepine?
2-bromo-5-methyl-4,6,7,8-tetrahydrothieno[3,2-c]azepine has a molecular weight of 246.17 g/mol, XLogP of 2.89, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-methyl-4,6,7,8-tetrahydrothieno[3,2-c]azepine is sourced from PubChem (CID 82384737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).