5,7-dihydrobenzo[d][2]benzazepin-6-yl(1,3-thiazolidin-4-yl)methanone;hydrochloride

C18H19ClN2OS — CID 119315086

IUPAC5,7-dihydrobenzo[d][2]benzazepin-6-yl(1,3-thiazolidin-4-yl)methanone;hydrochloride
SMILESCl.O=C(C1CSCN1)N1Cc2ccccc2-c2ccccc2C1
InChIInChI=1S/C18H18N2OS.ClH/c21-18(17-11-22-12-19-17)20-9-13-5-1-3-7-15(13)16-8-4-2-6-14(16)10-20;/h1-8,17,19H,9-12H2;1H
InChIKeyNMIFXRRHOBTVSO-UHFFFAOYSA-N
MW346.88 g/mol
LogP3.28
Rot. Bonds1

About 5,7-dihydrobenzo[d][2]benzazepin-6-yl(1,3-thiazolidin-4-yl)methanone;hydrochloride

5,7-dihydrobenzo[d][2]benzazepin-6-yl(1,3-thiazolidin-4-yl)methanone;hydrochloride (PubChem CID 119315086) has the molecular formula C18H19ClN2OS and a molecular weight of 346.88 g/mol. Its IUPAC name is 5,7-dihydrobenzo[d][2]benzazepin-6-yl(1,3-thiazolidin-4-yl)methanone;hydrochloride.

Molecular Properties

Compound Name5,7-dihydrobenzo[d][2]benzazepin-6-yl(1,3-thiazolidin-4-yl)methanone;hydrochloride
PubChem CID119315086
Molecular FormulaC18H19ClN2OS
Molecular Weight346.88 g/mol
Exact Mass346.09
IUPAC Name5,7-dihydrobenzo[d][2]benzazepin-6-yl(1,3-thiazolidin-4-yl)methanone;hydrochloride
SMILESCl.O=C(C1CSCN1)N1Cc2ccccc2-c2ccccc2C1
InChIInChI=1S/C18H18N2OS.ClH/c21-18(17-11-22-12-19-17)20-9-13-5-1-3-7-15(13)16-8-4-2-6-14(16)10-20;/h1-8,17,19H,9-12H2;1H
InChIKeyNMIFXRRHOBTVSO-UHFFFAOYSA-N
XLogP3.28
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.88
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5,7-dihydrobenzo[d][2]benzazepin-6-yl(1,3-thiazolidin-4-yl)methanone;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,4-dihydro-1H-isoquinolin-2-yl(1,3-thiazolidin-4-yl)methanone;hydrochloride
CID 119261638
(1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)-(1,3-thiazolidin-4-yl)methanone;dihydrochloride
CID 119876978
7,8-dihydro-5H-1,6-naphthyridin-6-yl(1,3-thiazolidin-4-yl)methanone
CID 60862417
(3R)-2-(1,3-thiazolidine-4-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 61158769
1,3-dihydroisoindol-2-yl(pyrrolidin-2-yl)methanone;hydrochloride
CID 119320268
[4-(2-methylbenzoyl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone
CID 110802108
2-phenyl-1-[4-(1,3-thiazolidine-4-carbonyl)piperazin-1-yl]ethanone
CID 110802605
4-phenyl-1-[4-(1,3-thiazolidine-4-carbonyl)piperazin-1-yl]butan-1-one
CID 119312341
1-(1,3-thiazolidine-4-carbonyl)azetidine-3-carboxylic acid
CID 79310155
4-[(4S)-1,3-thiazolidine-4-carbonyl]piperazin-2-one;hydrochloride
CID 119267084
[4-(2,3-dichlorobenzoyl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone;hydrochloride
CID 119287852
[4-(3-chlorophenyl)piperazin-1-yl]-[(4S)-1,3-thiazolidin-4-yl]methanone;dihydrochloride
CID 86814012

Frequently Asked Questions

What is the IUPAC name of 5,7-dihydrobenzo[d][2]benzazepin-6-yl(1,3-thiazolidin-4-yl)methanone;hydrochloride?
The IUPAC name of 5,7-dihydrobenzo[d][2]benzazepin-6-yl(1,3-thiazolidin-4-yl)methanone;hydrochloride (CID 119315086) is 5,7-dihydrobenzo[d][2]benzazepin-6-yl(1,3-thiazolidin-4-yl)methanone;hydrochloride.
What is the SMILES notation for 5,7-dihydrobenzo[d][2]benzazepin-6-yl(1,3-thiazolidin-4-yl)methanone;hydrochloride?
The canonical SMILES for 5,7-dihydrobenzo[d][2]benzazepin-6-yl(1,3-thiazolidin-4-yl)methanone;hydrochloride is Cl.O=C(C1CSCN1)N1Cc2ccccc2-c2ccccc2C1.
What is the InChIKey of 5,7-dihydrobenzo[d][2]benzazepin-6-yl(1,3-thiazolidin-4-yl)methanone;hydrochloride?
The InChIKey is NMIFXRRHOBTVSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2OS.ClH/c21-18(17-11-22-12-19-17)20-9-13-5-1-3-7-15(13)16-8-4-2-6-14(16)10-20;/h1-8,17,19H,9-12H2;1H.
What are the key properties of 5,7-dihydrobenzo[d][2]benzazepin-6-yl(1,3-thiazolidin-4-yl)methanone;hydrochloride?
5,7-dihydrobenzo[d][2]benzazepin-6-yl(1,3-thiazolidin-4-yl)methanone;hydrochloride has a molecular weight of 346.88 g/mol, XLogP of 3.28, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dihydrobenzo[d][2]benzazepin-6-yl(1,3-thiazolidin-4-yl)methanone;hydrochloride is sourced from PubChem (CID 119315086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).