2-[(4-amino-10H-thieno[3,2-c][1]benzazepin-7-yl)methyl-methylamino]ethanol

C16H19N3OS — CID 54370931

IUPAC2-[(4-amino-10H-thieno[3,2-c][1]benzazepin-7-yl)methyl-methylamino]ethanol
SMILESCN(CCO)Cc1ccc2c(c1)N=C(N)c1ccsc1C2
InChIInChI=1S/C16H19N3OS/c1-19(5-6-20)10-11-2-3-12-9-15-13(4-7-21-15)16(17)18-14(12)8-11/h2-4,7-8,20H,5-6,9-10H2,1H3,(H2,17,18)
InChIKeyUTDHZGJYDLEZMK-UHFFFAOYSA-N
MW301.42 g/mol
LogP2.11
Rot. Bonds4

About 2-[(4-amino-10H-thieno[3,2-c][1]benzazepin-7-yl)methyl-methylamino]ethanol

2-[(4-amino-10H-thieno[3,2-c][1]benzazepin-7-yl)methyl-methylamino]ethanol (PubChem CID 54370931) has the molecular formula C16H19N3OS and a molecular weight of 301.42 g/mol. Its IUPAC name is 2-[(4-amino-10H-thieno[3,2-c][1]benzazepin-7-yl)methyl-methylamino]ethanol.

Molecular Properties

Compound Name2-[(4-amino-10H-thieno[3,2-c][1]benzazepin-7-yl)methyl-methylamino]ethanol
PubChem CID54370931
Molecular FormulaC16H19N3OS
Molecular Weight301.42 g/mol
Exact Mass301.12
IUPAC Name2-[(4-amino-10H-thieno[3,2-c][1]benzazepin-7-yl)methyl-methylamino]ethanol
SMILESCN(CCO)Cc1ccc2c(c1)N=C(N)c1ccsc1C2
InChIInChI=1S/C16H19N3OS/c1-19(5-6-20)10-11-2-3-12-9-15-13(4-7-21-15)16(17)18-14(12)8-11/h2-4,7-8,20H,5-6,9-10H2,1H3,(H2,17,18)
InChIKeyUTDHZGJYDLEZMK-UHFFFAOYSA-N
XLogP2.11
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-10H-thieno[3,2-c][1]benzazepin-7-yl)methyl-methylamino]ethanol?
The IUPAC name of 2-[(4-amino-10H-thieno[3,2-c][1]benzazepin-7-yl)methyl-methylamino]ethanol (CID 54370931) is 2-[(4-amino-10H-thieno[3,2-c][1]benzazepin-7-yl)methyl-methylamino]ethanol.
What is the SMILES notation for 2-[(4-amino-10H-thieno[3,2-c][1]benzazepin-7-yl)methyl-methylamino]ethanol?
The canonical SMILES for 2-[(4-amino-10H-thieno[3,2-c][1]benzazepin-7-yl)methyl-methylamino]ethanol is CN(CCO)Cc1ccc2c(c1)N=C(N)c1ccsc1C2.
What is the InChIKey of 2-[(4-amino-10H-thieno[3,2-c][1]benzazepin-7-yl)methyl-methylamino]ethanol?
The InChIKey is UTDHZGJYDLEZMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS/c1-19(5-6-20)10-11-2-3-12-9-15-13(4-7-21-15)16(17)18-14(12)8-11/h2-4,7-8,20H,5-6,9-10H2,1H3,(H2,17,18).
What are the key properties of 2-[(4-amino-10H-thieno[3,2-c][1]benzazepin-7-yl)methyl-methylamino]ethanol?
2-[(4-amino-10H-thieno[3,2-c][1]benzazepin-7-yl)methyl-methylamino]ethanol has a molecular weight of 301.42 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-10H-thieno[3,2-c][1]benzazepin-7-yl)methyl-methylamino]ethanol is sourced from PubChem (CID 54370931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).