6-[5-(1-benzothiophen-2-yl)-2,3,4,5-tetrahydro-1H-2-benzazepin-8-yl]pyridazin-3-amine

C22H20N4S — CID 66964886

IUPAC6-[5-(1-benzothiophen-2-yl)-2,3,4,5-tetrahydro-1H-2-benzazepin-8-yl]pyridazin-3-amine
SMILESNc1ccc(-c2ccc3c(c2)CNCCC3c2cc3ccccc3s2)nn1
InChIInChI=1S/C22H20N4S/c23-22-8-7-19(25-26-22)14-5-6-17-16(11-14)13-24-10-9-18(17)21-12-15-3-1-2-4-20(15)27-21/h1-8,11-12,18,24H,9-10,13H2,(H2,23,26)
InChIKeyFXJOWZMBVUUEEP-UHFFFAOYSA-N
MW372.50 g/mol
LogP4.57
Rot. Bonds2

About 6-[5-(1-benzothiophen-2-yl)-2,3,4,5-tetrahydro-1H-2-benzazepin-8-yl]pyridazin-3-amine

6-[5-(1-benzothiophen-2-yl)-2,3,4,5-tetrahydro-1H-2-benzazepin-8-yl]pyridazin-3-amine (PubChem CID 66964886) has the molecular formula C22H20N4S and a molecular weight of 372.50 g/mol. Its IUPAC name is 6-[5-(1-benzothiophen-2-yl)-2,3,4,5-tetrahydro-1H-2-benzazepin-8-yl]pyridazin-3-amine.

Molecular Properties

Compound Name6-[5-(1-benzothiophen-2-yl)-2,3,4,5-tetrahydro-1H-2-benzazepin-8-yl]pyridazin-3-amine
PubChem CID66964886
Molecular FormulaC22H20N4S
Molecular Weight372.50 g/mol
Exact Mass372.14
IUPAC Name6-[5-(1-benzothiophen-2-yl)-2,3,4,5-tetrahydro-1H-2-benzazepin-8-yl]pyridazin-3-amine
SMILESNc1ccc(-c2ccc3c(c2)CNCCC3c2cc3ccccc3s2)nn1
InChIInChI=1S/C22H20N4S/c23-22-8-7-19(25-26-22)14-5-6-17-16(11-14)13-24-10-9-18(17)21-12-15-3-1-2-4-20(15)27-21/h1-8,11-12,18,24H,9-10,13H2,(H2,23,26)
InChIKeyFXJOWZMBVUUEEP-UHFFFAOYSA-N
XLogP4.57
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.50
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-[5-(1-benzothiophen-2-yl)-2,3,4,5-tetrahydro-1H-2-benzazepin-8-yl]pyridazin-3-amine 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

5-(2,3-difluorophenyl)-8-(6-methylpyridazin-3-yl)-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 66964918
4-(1-benzothiophen-2-yl)piperidine
CID 22028239
5-(1-benzothiophen-5-yl)-8-pyrimidin-5-yl-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 66964381
5-(4-chlorophenyl)-8-pyridazin-3-yl-2,3,4,5-tetrahydro-1H-2-benzazepine;2,3-dihydroxybutanedioic acid
CID 131732588
4-(1-benzothiophen-2-yl)-2-methyl-7-pyrimidin-4-yl-3,4-dihydro-1H-isoquinoline
CID 11602891
5-(1-benzothiophen-2-yl)-8-pyridazin-3-yl-2,3-dihydro-1H-2-benzazepine
CID 66963844
5-(1-benzothiophen-2-yl)-7-fluoro-2-methyl-8-(6-methylpyridazin-3-yl)-1,3,4,5-tetrahydro-2-benzazepine
CID 66964384
6-[4-(1H-indazol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]pyridazin-3-amine
CID 68995611
6-[5-(2,5-difluorophenyl)-2,3-dihydro-1H-2-benzazepin-8-yl]pyridazin-3-amine
CID 66965196
5-(1-benzothiophen-2-yl)-7-fluoro-2-methyl-8-[6-(trifluoromethyl)pyridazin-3-yl]-1,3,4,5-tetrahydro-2-benzazepine
CID 66965239
4-[2-[4-(1-benzothiophen-2-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-5-yl]-1,3-thiazol-4-yl]benzonitrile
CID 71506813
2-methyl-7-(6-methylpyridazin-3-yl)-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline
CID 68996070

Frequently Asked Questions

What is the IUPAC name of 6-[5-(1-benzothiophen-2-yl)-2,3,4,5-tetrahydro-1H-2-benzazepin-8-yl]pyridazin-3-amine?
The IUPAC name of 6-[5-(1-benzothiophen-2-yl)-2,3,4,5-tetrahydro-1H-2-benzazepin-8-yl]pyridazin-3-amine (CID 66964886) is 6-[5-(1-benzothiophen-2-yl)-2,3,4,5-tetrahydro-1H-2-benzazepin-8-yl]pyridazin-3-amine.
What is the SMILES notation for 6-[5-(1-benzothiophen-2-yl)-2,3,4,5-tetrahydro-1H-2-benzazepin-8-yl]pyridazin-3-amine?
The canonical SMILES for 6-[5-(1-benzothiophen-2-yl)-2,3,4,5-tetrahydro-1H-2-benzazepin-8-yl]pyridazin-3-amine is Nc1ccc(-c2ccc3c(c2)CNCCC3c2cc3ccccc3s2)nn1.
What is the InChIKey of 6-[5-(1-benzothiophen-2-yl)-2,3,4,5-tetrahydro-1H-2-benzazepin-8-yl]pyridazin-3-amine?
The InChIKey is FXJOWZMBVUUEEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4S/c23-22-8-7-19(25-26-22)14-5-6-17-16(11-14)13-24-10-9-18(17)21-12-15-3-1-2-4-20(15)27-21/h1-8,11-12,18,24H,9-10,13H2,(H2,23,26).
What are the key properties of 6-[5-(1-benzothiophen-2-yl)-2,3,4,5-tetrahydro-1H-2-benzazepin-8-yl]pyridazin-3-amine?
6-[5-(1-benzothiophen-2-yl)-2,3,4,5-tetrahydro-1H-2-benzazepin-8-yl]pyridazin-3-amine has a molecular weight of 372.50 g/mol, XLogP of 4.57, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(1-benzothiophen-2-yl)-2,3,4,5-tetrahydro-1H-2-benzazepin-8-yl]pyridazin-3-amine is sourced from PubChem (CID 66964886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).