4-(4-methylpiperazin-1-yl)-10H-thieno[3,2-b][1,5]benzodiazepine

C16H18N4S — CID 3045973

IUPAC4-(4-methylpiperazin-1-yl)-10H-thieno[3,2-b][1,5]benzodiazepine
SMILESCN1CCN(C2=Nc3ccccc3Nc3ccsc32)CC1
InChIInChI=1S/C16H18N4S/c1-19-7-9-20(10-8-19)16-15-14(6-11-21-15)17-12-4-2-3-5-13(12)18-16/h2-6,11,17H,7-10H2,1H3
InChIKeySBQAHBPDPPGHMZ-UHFFFAOYSA-N
MW298.41 g/mol
LogP3.13
Rot. Bonds

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

4-(4-methylpiperazin-1-yl)-10H-thieno[3,2-b][1,5]benzodiazepine (PubChem CID 3045973) has the molecular formula C16H18N4S and a molecular weight of 298.41 g/mol. Its IUPAC name is 4-(4-methylpiperazin-1-yl)-10H-thieno[3,2-b][1,5]benzodiazepine.

Molecular Properties

Compound Name4-(4-methylpiperazin-1-yl)-10H-thieno[3,2-b][1,5]benzodiazepine
PubChem CID3045973
Molecular FormulaC16H18N4S
Molecular Weight298.41 g/mol
Exact Mass298.13
IUPAC Name4-(4-methylpiperazin-1-yl)-10H-thieno[3,2-b][1,5]benzodiazepine
SMILESCN1CCN(C2=Nc3ccccc3Nc3ccsc32)CC1
InChIInChI=1S/C16H18N4S/c1-19-7-9-20(10-8-19)16-15-14(6-11-21-15)17-12-4-2-3-5-13(12)18-16/h2-6,11,17H,7-10H2,1H3
InChIKeySBQAHBPDPPGHMZ-UHFFFAOYSA-N
XLogP3.13
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Olanzapine
CID 135398745
Flumezapine
CID 135413528
Desmethylolanzapine
CID 135446209
Olanzapine-N-oxide
CID 135409492
10H-Thieno(2,3-b)(1,5)benzodiazepine, 2-ethyl-7-fluoro-4-(4-methyl-1-piperazinyl)-
CID 135570628
10H-Thieno(2,3-b)(1,5)benzodiazepine, 7-fluoro-3-methyl-4-(4-methyl-1-piperazinyl)-
CID 135704084
10H-Thieno(2,3-b)(1,5)benzodiazepine, 7-fluoro-4-(4-methyl-1-piperazinyl)-
CID 135746681
10-(4-Methyl-piperazin-1-yl)-4H-3-thia-4,9-diaza-benzo[f]azulene
CID 135414318
4H-Thieno(3,4-b)(1,5)benzodiazepine, 10-(4-methyl-1-piperazinyl)-
CID 3042387
4H-Thieno(3,4-b)(1,5)benzodiazepine, 10-(1-piperazinyl)-
CID 3042388
4H-Thieno(3,4-b)(1,5)benzodiazepine, 7-chloro-10-(4-methyl-1-piperazinyl)-
CID 3042389
4H-Thieno(3,4-b)(1,5)benzodiazepine, 10-(4-methyl-1-piperazinyl)-7-(trifluoromethyl)-
CID 3045910

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperazin-1-yl)-10H-thieno[3,2-b][1,5]benzodiazepine?
The IUPAC name of 4-(4-methylpiperazin-1-yl)-10H-thieno[3,2-b][1,5]benzodiazepine (CID 3045973) is 4-(4-methylpiperazin-1-yl)-10H-thieno[3,2-b][1,5]benzodiazepine.
What is the SMILES notation for 4-(4-methylpiperazin-1-yl)-10H-thieno[3,2-b][1,5]benzodiazepine?
The canonical SMILES for 4-(4-methylpiperazin-1-yl)-10H-thieno[3,2-b][1,5]benzodiazepine is CN1CCN(C2=Nc3ccccc3Nc3ccsc32)CC1.
What is the InChIKey of 4-(4-methylpiperazin-1-yl)-10H-thieno[3,2-b][1,5]benzodiazepine?
The InChIKey is SBQAHBPDPPGHMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4S/c1-19-7-9-20(10-8-19)16-15-14(6-11-21-15)17-12-4-2-3-5-13(12)18-16/h2-6,11,17H,7-10H2,1H3.
What are the key properties of 4-(4-methylpiperazin-1-yl)-10H-thieno[3,2-b][1,5]benzodiazepine?
4-(4-methylpiperazin-1-yl)-10H-thieno[3,2-b][1,5]benzodiazepine has a molecular weight of 298.41 g/mol, XLogP of 3.13, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperazin-1-yl)-10H-thieno[3,2-b][1,5]benzodiazepine is sourced from PubChem (CID 3045973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).