2-ethyl-4-piperazin-1-yl-10H-thieno[2,3-b][1,5]benzodiazepine

C17H20N4S — CID 135746669

IUPAC2-ethyl-4-piperazin-1-yl-10H-thieno[2,3-b][1,5]benzodiazepine
SMILESCCc1cc2c(s1)Nc1ccccc1N=C2N1CCNCC1
InChIInChI=1S/C17H20N4S/c1-2-12-11-13-16(21-9-7-18-8-10-21)19-14-5-3-4-6-15(14)20-17(13)22-12/h3-6,11,18,20H,2,7-10H2,1H3
InChIKeyDLBGDFORVMZNGR-UHFFFAOYSA-N
MW312.44 g/mol
LogP3.35
Rot. Bonds1

About 2-ethyl-4-piperazin-1-yl-10H-thieno[2,3-b][1,5]benzodiazepine

2-ethyl-4-piperazin-1-yl-10H-thieno[2,3-b][1,5]benzodiazepine (PubChem CID 135746669) has the molecular formula C17H20N4S and a molecular weight of 312.44 g/mol. Its IUPAC name is 2-ethyl-4-piperazin-1-yl-10H-thieno[2,3-b][1,5]benzodiazepine.

Molecular Properties

Compound Name2-ethyl-4-piperazin-1-yl-10H-thieno[2,3-b][1,5]benzodiazepine
PubChem CID135746669
Molecular FormulaC17H20N4S
Molecular Weight312.44 g/mol
Exact Mass312.14
IUPAC Name2-ethyl-4-piperazin-1-yl-10H-thieno[2,3-b][1,5]benzodiazepine
SMILESCCc1cc2c(s1)Nc1ccccc1N=C2N1CCNCC1
InChIInChI=1S/C17H20N4S/c1-2-12-11-13-16(21-9-7-18-8-10-21)19-14-5-3-4-6-15(14)20-17(13)22-12/h3-6,11,18,20H,2,7-10H2,1H3
InChIKeyDLBGDFORVMZNGR-UHFFFAOYSA-N
XLogP3.35
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-piperazin-1-yl-10H-thieno[2,3-b][1,5]benzodiazepine?
The IUPAC name of 2-ethyl-4-piperazin-1-yl-10H-thieno[2,3-b][1,5]benzodiazepine (CID 135746669) is 2-ethyl-4-piperazin-1-yl-10H-thieno[2,3-b][1,5]benzodiazepine.
What is the SMILES notation for 2-ethyl-4-piperazin-1-yl-10H-thieno[2,3-b][1,5]benzodiazepine?
The canonical SMILES for 2-ethyl-4-piperazin-1-yl-10H-thieno[2,3-b][1,5]benzodiazepine is CCc1cc2c(s1)Nc1ccccc1N=C2N1CCNCC1.
What is the InChIKey of 2-ethyl-4-piperazin-1-yl-10H-thieno[2,3-b][1,5]benzodiazepine?
The InChIKey is DLBGDFORVMZNGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4S/c1-2-12-11-13-16(21-9-7-18-8-10-21)19-14-5-3-4-6-15(14)20-17(13)22-12/h3-6,11,18,20H,2,7-10H2,1H3.
What are the key properties of 2-ethyl-4-piperazin-1-yl-10H-thieno[2,3-b][1,5]benzodiazepine?
2-ethyl-4-piperazin-1-yl-10H-thieno[2,3-b][1,5]benzodiazepine has a molecular weight of 312.44 g/mol, XLogP of 3.35, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-piperazin-1-yl-10H-thieno[2,3-b][1,5]benzodiazepine is sourced from PubChem (CID 135746669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).