2-[2-[4-(10H-thieno[3,2-c][1]benzazepin-4-yl)piperazin-1-yl]ethoxy]ethanol

C20H25N3O2S — CID 10833054

IUPAC2-[2-[4-(10H-thieno[3,2-c][1]benzazepin-4-yl)piperazin-1-yl]ethoxy]ethanol
SMILESOCCOCCN1CCN(C2=Nc3ccccc3Cc3sccc32)CC1
InChIInChI=1S/C20H25N3O2S/c24-11-13-25-12-10-22-6-8-23(9-7-22)20-17-5-14-26-19(17)15-16-3-1-2-4-18(16)21-20/h1-5,14,24H,6-13,15H2
InChIKeyXXKFWSCVRFVFBA-UHFFFAOYSA-N
MW371.51 g/mol
LogP2.36
Rot. Bonds5

About 2-[2-[4-(10H-thieno[3,2-c][1]benzazepin-4-yl)piperazin-1-yl]ethoxy]ethanol

2-[2-[4-(10H-thieno[3,2-c][1]benzazepin-4-yl)piperazin-1-yl]ethoxy]ethanol (PubChem CID 10833054) has the molecular formula C20H25N3O2S and a molecular weight of 371.51 g/mol. Its IUPAC name is 2-[2-[4-(10H-thieno[3,2-c][1]benzazepin-4-yl)piperazin-1-yl]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[4-(10H-thieno[3,2-c][1]benzazepin-4-yl)piperazin-1-yl]ethoxy]ethanol
PubChem CID10833054
Molecular FormulaC20H25N3O2S
Molecular Weight371.51 g/mol
Exact Mass371.17
IUPAC Name2-[2-[4-(10H-thieno[3,2-c][1]benzazepin-4-yl)piperazin-1-yl]ethoxy]ethanol
SMILESOCCOCCN1CCN(C2=Nc3ccccc3Cc3sccc32)CC1
InChIInChI=1S/C20H25N3O2S/c24-11-13-25-12-10-22-6-8-23(9-7-22)20-17-5-14-26-19(17)15-16-3-1-2-4-18(16)21-20/h1-5,14,24H,6-13,15H2
InChIKeyXXKFWSCVRFVFBA-UHFFFAOYSA-N
XLogP2.36
TPSA48.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(10H-thieno[3,2-c][1]benzazepin-4-yl)piperazin-1-yl]ethoxy]ethanol?
The IUPAC name of 2-[2-[4-(10H-thieno[3,2-c][1]benzazepin-4-yl)piperazin-1-yl]ethoxy]ethanol (CID 10833054) is 2-[2-[4-(10H-thieno[3,2-c][1]benzazepin-4-yl)piperazin-1-yl]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[4-(10H-thieno[3,2-c][1]benzazepin-4-yl)piperazin-1-yl]ethoxy]ethanol?
The canonical SMILES for 2-[2-[4-(10H-thieno[3,2-c][1]benzazepin-4-yl)piperazin-1-yl]ethoxy]ethanol is OCCOCCN1CCN(C2=Nc3ccccc3Cc3sccc32)CC1.
What is the InChIKey of 2-[2-[4-(10H-thieno[3,2-c][1]benzazepin-4-yl)piperazin-1-yl]ethoxy]ethanol?
The InChIKey is XXKFWSCVRFVFBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2S/c24-11-13-25-12-10-22-6-8-23(9-7-22)20-17-5-14-26-19(17)15-16-3-1-2-4-18(16)21-20/h1-5,14,24H,6-13,15H2.
What are the key properties of 2-[2-[4-(10H-thieno[3,2-c][1]benzazepin-4-yl)piperazin-1-yl]ethoxy]ethanol?
2-[2-[4-(10H-thieno[3,2-c][1]benzazepin-4-yl)piperazin-1-yl]ethoxy]ethanol has a molecular weight of 371.51 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(10H-thieno[3,2-c][1]benzazepin-4-yl)piperazin-1-yl]ethoxy]ethanol is sourced from PubChem (CID 10833054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).