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

C15H16N4S — CID 3045924

IUPAC4-piperazin-1-yl-10H-thieno[3,2-b][1,5]benzodiazepine
SMILESc1ccc2c(c1)N=C(N1CCNCC1)c1sccc1N2
InChIInChI=1S/C15H16N4S/c1-2-4-12-11(3-1)17-13-5-10-20-14(13)15(18-12)19-8-6-16-7-9-19/h1-5,10,16-17H,6-9H2
InChIKeyCTBOSJODJVJXCR-UHFFFAOYSA-N
MW284.39 g/mol
LogP2.79
Rot. Bonds

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

4-piperazin-1-yl-10H-thieno[3,2-b][1,5]benzodiazepine (PubChem CID 3045924) has the molecular formula C15H16N4S and a molecular weight of 284.39 g/mol. Its IUPAC name is 4-piperazin-1-yl-10H-thieno[3,2-b][1,5]benzodiazepine.

Molecular Properties

Compound Name4-piperazin-1-yl-10H-thieno[3,2-b][1,5]benzodiazepine
PubChem CID3045924
Molecular FormulaC15H16N4S
Molecular Weight284.39 g/mol
Exact Mass284.11
IUPAC Name4-piperazin-1-yl-10H-thieno[3,2-b][1,5]benzodiazepine
SMILESc1ccc2c(c1)N=C(N1CCNCC1)c1sccc1N2
InChIInChI=1S/C15H16N4S/c1-2-4-12-11(3-1)17-13-5-10-20-14(13)15(18-12)19-8-6-16-7-9-19/h1-5,10,16-17H,6-9H2
InChIKeyCTBOSJODJVJXCR-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

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Frequently Asked Questions

What is the IUPAC name of 4-piperazin-1-yl-10H-thieno[3,2-b][1,5]benzodiazepine?
The IUPAC name of 4-piperazin-1-yl-10H-thieno[3,2-b][1,5]benzodiazepine (CID 3045924) is 4-piperazin-1-yl-10H-thieno[3,2-b][1,5]benzodiazepine.
What is the SMILES notation for 4-piperazin-1-yl-10H-thieno[3,2-b][1,5]benzodiazepine?
The canonical SMILES for 4-piperazin-1-yl-10H-thieno[3,2-b][1,5]benzodiazepine is c1ccc2c(c1)N=C(N1CCNCC1)c1sccc1N2.
What is the InChIKey of 4-piperazin-1-yl-10H-thieno[3,2-b][1,5]benzodiazepine?
The InChIKey is CTBOSJODJVJXCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4S/c1-2-4-12-11(3-1)17-13-5-10-20-14(13)15(18-12)19-8-6-16-7-9-19/h1-5,10,16-17H,6-9H2.
What are the key properties of 4-piperazin-1-yl-10H-thieno[3,2-b][1,5]benzodiazepine?
4-piperazin-1-yl-10H-thieno[3,2-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[3,2-b][1,5]benzodiazepine is sourced from PubChem (CID 3045924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).