7,8-dichloro-4-piperazin-1-yl-10H-thieno[3,4-b][1,5]benzodiazepine

C15H14Cl2N4S — CID 3045926

IUPAC7,8-dichloro-4-piperazin-1-yl-10H-thieno[3,4-b][1,5]benzodiazepine
SMILESClc1cc2c(cc1Cl)Nc1cscc1C(N1CCNCC1)=N2
InChIInChI=1S/C15H14Cl2N4S/c16-10-5-12-13(6-11(10)17)20-15(21-3-1-18-2-4-21)9-7-22-8-14(9)19-12/h5-8,18-19H,1-4H2
InChIKeyYOTKKISEHKPRLX-UHFFFAOYSA-N
MW353.28 g/mol
LogP4.10
Rot. Bonds

About 7,8-dichloro-4-piperazin-1-yl-10H-thieno[3,4-b][1,5]benzodiazepine

7,8-dichloro-4-piperazin-1-yl-10H-thieno[3,4-b][1,5]benzodiazepine (PubChem CID 3045926) has the molecular formula C15H14Cl2N4S and a molecular weight of 353.28 g/mol. Its IUPAC name is 7,8-dichloro-4-piperazin-1-yl-10H-thieno[3,4-b][1,5]benzodiazepine.

Molecular Properties

Compound Name7,8-dichloro-4-piperazin-1-yl-10H-thieno[3,4-b][1,5]benzodiazepine
PubChem CID3045926
Molecular FormulaC15H14Cl2N4S
Molecular Weight353.28 g/mol
Exact Mass352.03
IUPAC Name7,8-dichloro-4-piperazin-1-yl-10H-thieno[3,4-b][1,5]benzodiazepine
SMILESClc1cc2c(cc1Cl)Nc1cscc1C(N1CCNCC1)=N2
InChIInChI=1S/C15H14Cl2N4S/c16-10-5-12-13(6-11(10)17)20-15(21-3-1-18-2-4-21)9-7-22-8-14(9)19-12/h5-8,18-19H,1-4H2
InChIKeyYOTKKISEHKPRLX-UHFFFAOYSA-N
XLogP4.10
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.28
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7,8-dichloro-4-piperazin-1-yl-10H-thieno[3,4-b][1,5]benzodiazepine?
The IUPAC name of 7,8-dichloro-4-piperazin-1-yl-10H-thieno[3,4-b][1,5]benzodiazepine (CID 3045926) is 7,8-dichloro-4-piperazin-1-yl-10H-thieno[3,4-b][1,5]benzodiazepine.
What is the SMILES notation for 7,8-dichloro-4-piperazin-1-yl-10H-thieno[3,4-b][1,5]benzodiazepine?
The canonical SMILES for 7,8-dichloro-4-piperazin-1-yl-10H-thieno[3,4-b][1,5]benzodiazepine is Clc1cc2c(cc1Cl)Nc1cscc1C(N1CCNCC1)=N2.
What is the InChIKey of 7,8-dichloro-4-piperazin-1-yl-10H-thieno[3,4-b][1,5]benzodiazepine?
The InChIKey is YOTKKISEHKPRLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N4S/c16-10-5-12-13(6-11(10)17)20-15(21-3-1-18-2-4-21)9-7-22-8-14(9)19-12/h5-8,18-19H,1-4H2.
What are the key properties of 7,8-dichloro-4-piperazin-1-yl-10H-thieno[3,4-b][1,5]benzodiazepine?
7,8-dichloro-4-piperazin-1-yl-10H-thieno[3,4-b][1,5]benzodiazepine has a molecular weight of 353.28 g/mol, XLogP of 4.10, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dichloro-4-piperazin-1-yl-10H-thieno[3,4-b][1,5]benzodiazepine is sourced from PubChem (CID 3045926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).