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

C15H16N4S — CID 3042388

IUPAC4-piperazin-1-yl-10H-thieno[3,4-b][1,5]benzodiazepine
SMILESc1ccc2c(c1)N=C(N1CCNCC1)c1cscc1N2
InChIInChI=1S/C15H16N4S/c1-2-4-13-12(3-1)17-14-10-20-9-11(14)15(18-13)19-7-5-16-6-8-19/h1-4,9-10,16-17H,5-8H2
InChIKeyRPOZRSGRTCYDHA-UHFFFAOYSA-N
MW284.39 g/mol
LogP2.79
Rot. Bonds

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

4-piperazin-1-yl-10H-thieno[3,4-b][1,5]benzodiazepine (PubChem CID 3042388) has the molecular formula C15H16N4S and a molecular weight of 284.39 g/mol. Its IUPAC name is 4-piperazin-1-yl-10H-thieno[3,4-b][1,5]benzodiazepine.

Molecular Properties

Compound Name4-piperazin-1-yl-10H-thieno[3,4-b][1,5]benzodiazepine
PubChem CID3042388
Molecular FormulaC15H16N4S
Molecular Weight284.39 g/mol
Exact Mass284.11
IUPAC Name4-piperazin-1-yl-10H-thieno[3,4-b][1,5]benzodiazepine
SMILESc1ccc2c(c1)N=C(N1CCNCC1)c1cscc1N2
InChIInChI=1S/C15H16N4S/c1-2-4-13-12(3-1)17-14-10-20-9-11(14)15(18-13)19-7-5-16-6-8-19/h1-4,9-10,16-17H,5-8H2
InChIKeyRPOZRSGRTCYDHA-UHFFFAOYSA-N
XLogP2.79
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.39
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-piperazin-1-yl-10H-thieno[3,4-b][1,5]benzodiazepine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-piperazin-1-yl-10H-thieno[3,4-b][1,5]benzodiazepine?
The IUPAC name of 4-piperazin-1-yl-10H-thieno[3,4-b][1,5]benzodiazepine (CID 3042388) is 4-piperazin-1-yl-10H-thieno[3,4-b][1,5]benzodiazepine.
What is the SMILES notation for 4-piperazin-1-yl-10H-thieno[3,4-b][1,5]benzodiazepine?
The canonical SMILES for 4-piperazin-1-yl-10H-thieno[3,4-b][1,5]benzodiazepine is c1ccc2c(c1)N=C(N1CCNCC1)c1cscc1N2.
What is the InChIKey of 4-piperazin-1-yl-10H-thieno[3,4-b][1,5]benzodiazepine?
The InChIKey is RPOZRSGRTCYDHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4S/c1-2-4-13-12(3-1)17-14-10-20-9-11(14)15(18-13)19-7-5-16-6-8-19/h1-4,9-10,16-17H,5-8H2.
What are the key properties of 4-piperazin-1-yl-10H-thieno[3,4-b][1,5]benzodiazepine?
4-piperazin-1-yl-10H-thieno[3,4-b][1,5]benzodiazepine has a molecular weight of 284.39 g/mol, XLogP of 2.79, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperazin-1-yl-10H-thieno[3,4-b][1,5]benzodiazepine is sourced from PubChem (CID 3042388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).