5-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine

C17H20N2S — CID 103983111

IUPAC5-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESc1ccc2c(c1)CNCCC2N1CCc2sccc2C1
InChIInChI=1S/C17H20N2S/c1-2-4-15-13(3-1)11-18-8-5-16(15)19-9-6-17-14(12-19)7-10-20-17/h1-4,7,10,16,18H,5-6,8-9,11-12H2
InChIKeyGCMJMLNRZVBLJS-UHFFFAOYSA-N
MW284.43 g/mol
LogP3.34
Rot. Bonds1

About 5-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine

5-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine (PubChem CID 103983111) has the molecular formula C17H20N2S and a molecular weight of 284.43 g/mol. Its IUPAC name is 5-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine.

Molecular Properties

Compound Name5-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
PubChem CID103983111
Molecular FormulaC17H20N2S
Molecular Weight284.43 g/mol
Exact Mass284.13
IUPAC Name5-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESc1ccc2c(c1)CNCCC2N1CCc2sccc2C1
InChIInChI=1S/C17H20N2S/c1-2-4-15-13(3-1)11-18-8-5-16(15)19-9-6-17-14(12-19)7-10-20-17/h1-4,7,10,16,18H,5-6,8-9,11-12H2
InChIKeyGCMJMLNRZVBLJS-UHFFFAOYSA-N
XLogP3.34
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine with MolForge

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Related Compounds

5-(4-propan-2-ylpiperazin-1-yl)-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 103983221
5-(4-benzylpiperazin-1-yl)-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 113361696
(3S)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 164632274
[1-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)piperidin-4-yl]methanol
CID 103983164
N,N-diethyl-1-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)pyrrolidin-3-amine
CID 103983445
3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)oxolan-2-one
CID 42941023
5-(piperidin-4-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride
CID 119929942
N-methyl-1-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)piperidine-4-carboxamide
CID 103983216
1-[4-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)-1,4-diazepan-1-yl]ethanone
CID 103983370
cis-(1S,2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)cyclohexan-1-ol
CID 129365586
1-[(1S)-2,3-dihydro-1H-inden-1-yl]piperazine
CID 30634298
[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)cyclopentyl]methanamine
CID 43530847

Frequently Asked Questions

What is the IUPAC name of 5-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The IUPAC name of 5-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine (CID 103983111) is 5-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine.
What is the SMILES notation for 5-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The canonical SMILES for 5-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine is c1ccc2c(c1)CNCCC2N1CCc2sccc2C1.
What is the InChIKey of 5-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The InChIKey is GCMJMLNRZVBLJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2S/c1-2-4-15-13(3-1)11-18-8-5-16(15)19-9-6-17-14(12-19)7-10-20-17/h1-4,7,10,16,18H,5-6,8-9,11-12H2.
What are the key properties of 5-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine?
5-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine has a molecular weight of 284.43 g/mol, XLogP of 3.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine is sourced from PubChem (CID 103983111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).