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

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Related Compounds

CID 135398745
CID 135398745
CID 135413528
CID 135413528
CID 135446209
CID 135446209
CID 135409492
CID 135409492
CID 135570628
CID 135570628
CID 135704084
CID 135704084
CID 135746681
CID 135746681
CID 3045926
CID 3045926
CID 135414318
CID 135414318
CID 3042387
CID 3042387
CID 3042389
CID 3042389
CID 3045910
CID 3045910

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).