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

C15H16N4S — CID 70592992

IUPAC9-piperazin-1-yl-10H-thieno[3,4-b][1,4]benzodiazepine
SMILESC1=Nc2cscc2Nc2c1cccc2N1CCNCC1
InChIInChI=1S/C15H16N4S/c1-2-11-8-17-12-9-20-10-13(12)18-15(11)14(3-1)19-6-4-16-5-7-19/h1-3,8-10,16,18H,4-7H2
InChIKeyPVIBAWRXCWLDDD-UHFFFAOYSA-N
MW284.39 g/mol
LogP2.97
Rot. Bonds1

About 9-piperazin-1-yl-10H-thieno[3,4-b][1,4]benzodiazepine

9-piperazin-1-yl-10H-thieno[3,4-b][1,4]benzodiazepine (PubChem CID 70592992) has the molecular formula C15H16N4S and a molecular weight of 284.39 g/mol. Its IUPAC name is 9-piperazin-1-yl-10H-thieno[3,4-b][1,4]benzodiazepine.

Molecular Properties

Compound Name9-piperazin-1-yl-10H-thieno[3,4-b][1,4]benzodiazepine
PubChem CID70592992
Molecular FormulaC15H16N4S
Molecular Weight284.39 g/mol
Exact Mass284.11
IUPAC Name9-piperazin-1-yl-10H-thieno[3,4-b][1,4]benzodiazepine
SMILESC1=Nc2cscc2Nc2c1cccc2N1CCNCC1
InChIInChI=1S/C15H16N4S/c1-2-11-8-17-12-9-20-10-13(12)18-15(11)14(3-1)19-6-4-16-5-7-19/h1-3,8-10,16,18H,4-7H2
InChIKeyPVIBAWRXCWLDDD-UHFFFAOYSA-N
XLogP2.97
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.39
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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1-(2-chlorophenyl)piperazine
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4-piperazin-1-yl-1H-indazole;hydrochloride
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4,19-dimethyl-1,8,15,22,25,31-hexazapentacyclo[20.6.6.12,6.117,21.09,14]hexatriaconta-2,4,6(36),7,9,11,13,15,17(35),18,20-undecaene-35,36-diol
CID 136671868
1-(3-methoxy-1-benzothiophen-4-yl)piperazine
CID 141457575
1-(2-chlorophenyl)piperazine;dihydrochloride
CID 3018683
1-methyl-7-piperazin-1-yl-2,3-dihydroindole
CID 82614660
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(2-piperazin-1-ylphenyl)methylidenehydrazine
CID 168531294
5-piperazin-1-ylquinoline
CID 10656226

Frequently Asked Questions

What is the IUPAC name of 9-piperazin-1-yl-10H-thieno[3,4-b][1,4]benzodiazepine?
The IUPAC name of 9-piperazin-1-yl-10H-thieno[3,4-b][1,4]benzodiazepine (CID 70592992) is 9-piperazin-1-yl-10H-thieno[3,4-b][1,4]benzodiazepine.
What is the SMILES notation for 9-piperazin-1-yl-10H-thieno[3,4-b][1,4]benzodiazepine?
The canonical SMILES for 9-piperazin-1-yl-10H-thieno[3,4-b][1,4]benzodiazepine is C1=Nc2cscc2Nc2c1cccc2N1CCNCC1.
What is the InChIKey of 9-piperazin-1-yl-10H-thieno[3,4-b][1,4]benzodiazepine?
The InChIKey is PVIBAWRXCWLDDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4S/c1-2-11-8-17-12-9-20-10-13(12)18-15(11)14(3-1)19-6-4-16-5-7-19/h1-3,8-10,16,18H,4-7H2.
What are the key properties of 9-piperazin-1-yl-10H-thieno[3,4-b][1,4]benzodiazepine?
9-piperazin-1-yl-10H-thieno[3,4-b][1,4]benzodiazepine has a molecular weight of 284.39 g/mol, XLogP of 2.97, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-piperazin-1-yl-10H-thieno[3,4-b][1,4]benzodiazepine is sourced from PubChem (CID 70592992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).