2,6-dimethyl-8-phenyl-4,5,7,8-tetrahydrothieno[2,3-d]azepine

C16H19NS — CID 19864320

IUPAC2,6-dimethyl-8-phenyl-4,5,7,8-tetrahydrothieno[2,3-d]azepine
SMILESCc1cc2c(s1)C(c1ccccc1)CN(C)CC2
InChIInChI=1S/C16H19NS/c1-12-10-14-8-9-17(2)11-15(16(14)18-12)13-6-4-3-5-7-13/h3-7,10,15H,8-9,11H2,1-2H3
InChIKeyFTCUDSUGHJRNBM-UHFFFAOYSA-N
MW257.40 g/mol
LogP3.68
Rot. Bonds1

About 2,6-dimethyl-8-phenyl-4,5,7,8-tetrahydrothieno[2,3-d]azepine

2,6-dimethyl-8-phenyl-4,5,7,8-tetrahydrothieno[2,3-d]azepine (PubChem CID 19864320) has the molecular formula C16H19NS and a molecular weight of 257.40 g/mol. Its IUPAC name is 2,6-dimethyl-8-phenyl-4,5,7,8-tetrahydrothieno[2,3-d]azepine.

Molecular Properties

Compound Name2,6-dimethyl-8-phenyl-4,5,7,8-tetrahydrothieno[2,3-d]azepine
PubChem CID19864320
Molecular FormulaC16H19NS
Molecular Weight257.40 g/mol
Exact Mass257.12
IUPAC Name2,6-dimethyl-8-phenyl-4,5,7,8-tetrahydrothieno[2,3-d]azepine
SMILESCc1cc2c(s1)C(c1ccccc1)CN(C)CC2
InChIInChI=1S/C16H19NS/c1-12-10-14-8-9-17(2)11-15(16(14)18-12)13-6-4-3-5-7-13/h3-7,10,15H,8-9,11H2,1-2H3
InChIKeyFTCUDSUGHJRNBM-UHFFFAOYSA-N
XLogP3.68
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,6-dimethyl-8-phenyl-4,5,7,8-tetrahydrothieno[2,3-d]azepine with MolForge

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Launch Full Analysis

Related Compounds

1-(6-methyl-8-phenyl-4,5,7,8-tetrahydrothieno[2,3-d]azepin-2-yl)ethanone;trifluoroborane;hydrochloride
CID 159800634
3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol;hydrochloride
CID 45262761
(5S)-8-bromo-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol
CID 6604885
1,3-dichloro-6-methyl-4-phenyl-4,5,7,8-tetrahydrothieno[3,4-d]azepine
CID 19826884
(Z)-but-2-enedioic acid;(5R)-3,8-dimethyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-amine
CID 67923454
8-bromo-7-methoxy-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine
CID 12928531
(10R)-4-chloro-8-methyl-10-phenyl-6,7,9,10-tetrahydro-3H-pyrazolo[3,4-i][3]benzazepine
CID 10244974
(3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl) N-ethylcarbamate
CID 70617943
(10R)-4-chloro-2-ethylsulfanyl-8-methyl-10-phenyl-6,7,9,10-tetrahydro-[1,3]thiazolo[4,5-i][3]benzazepine
CID 11153469
7,8-dimethoxy-3,9-dimethyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine;hydrochloride
CID 20529935
(Z)-but-2-enedioate;7,8-dimethoxy-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine
CID 20838253
4-(3,7-dimethyl-1,2,4,5-tetrahydro-3-benzazepin-5-yl)aniline
CID 58536854

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-8-phenyl-4,5,7,8-tetrahydrothieno[2,3-d]azepine?
The IUPAC name of 2,6-dimethyl-8-phenyl-4,5,7,8-tetrahydrothieno[2,3-d]azepine (CID 19864320) is 2,6-dimethyl-8-phenyl-4,5,7,8-tetrahydrothieno[2,3-d]azepine.
What is the SMILES notation for 2,6-dimethyl-8-phenyl-4,5,7,8-tetrahydrothieno[2,3-d]azepine?
The canonical SMILES for 2,6-dimethyl-8-phenyl-4,5,7,8-tetrahydrothieno[2,3-d]azepine is Cc1cc2c(s1)C(c1ccccc1)CN(C)CC2.
What is the InChIKey of 2,6-dimethyl-8-phenyl-4,5,7,8-tetrahydrothieno[2,3-d]azepine?
The InChIKey is FTCUDSUGHJRNBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NS/c1-12-10-14-8-9-17(2)11-15(16(14)18-12)13-6-4-3-5-7-13/h3-7,10,15H,8-9,11H2,1-2H3.
What are the key properties of 2,6-dimethyl-8-phenyl-4,5,7,8-tetrahydrothieno[2,3-d]azepine?
2,6-dimethyl-8-phenyl-4,5,7,8-tetrahydrothieno[2,3-d]azepine has a molecular weight of 257.40 g/mol, XLogP of 3.68, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-8-phenyl-4,5,7,8-tetrahydrothieno[2,3-d]azepine is sourced from PubChem (CID 19864320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).