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

C17H20N4OS — CID 135515431

IUPAC[4-(4-methylpiperazin-1-yl)-10H-thieno[2,3-b][1,5]benzodiazepin-2-yl]methanol
SMILESCN1CCN(C2=Nc3ccccc3Nc3sc(CO)cc32)CC1
InChIInChI=1S/C17H20N4OS/c1-20-6-8-21(9-7-20)16-13-10-12(11-22)23-17(13)19-15-5-3-2-4-14(15)18-16/h2-5,10,19,22H,6-9,11H2,1H3
InChIKeyFPDIERBPQFAFSI-UHFFFAOYSA-N
MW328.44 g/mol
LogP2.62
Rot. Bonds1

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

[4-(4-methylpiperazin-1-yl)-10H-thieno[2,3-b][1,5]benzodiazepin-2-yl]methanol (PubChem CID 135515431) has the molecular formula C17H20N4OS and a molecular weight of 328.44 g/mol. Its IUPAC name is [4-(4-methylpiperazin-1-yl)-10H-thieno[2,3-b][1,5]benzodiazepin-2-yl]methanol.

Molecular Properties

Compound Name[4-(4-methylpiperazin-1-yl)-10H-thieno[2,3-b][1,5]benzodiazepin-2-yl]methanol
PubChem CID135515431
Molecular FormulaC17H20N4OS
Molecular Weight328.44 g/mol
Exact Mass328.14
IUPAC Name[4-(4-methylpiperazin-1-yl)-10H-thieno[2,3-b][1,5]benzodiazepin-2-yl]methanol
SMILESCN1CCN(C2=Nc3ccccc3Nc3sc(CO)cc32)CC1
InChIInChI=1S/C17H20N4OS/c1-20-6-8-21(9-7-20)16-13-10-12(11-22)23-17(13)19-15-5-3-2-4-14(15)18-16/h2-5,10,19,22H,6-9,11H2,1H3
InChIKeyFPDIERBPQFAFSI-UHFFFAOYSA-N
XLogP2.62
TPSA51.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [4-(4-methylpiperazin-1-yl)-10H-thieno[2,3-b][1,5]benzodiazepin-2-yl]methanol with MolForge

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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
10-(4-Methyl-piperazin-1-yl)-4H-3-thia-4,9-diaza-benzo[f]azulene
CID 135414318
1-Piperazinepropanol, 4-(4H-thieno(3,4-b)(1,5)benzodiazepin-10-yl)-
CID 3045938
10H-Thieno(2,3-b)(1,5)benzodiazepine, 2-tert-butyl-4-(4-methyl-1-piperazinyl)-
CID 135704082
2-Ethyl-4-(4-methylpiperazin-1-yl)-10H-benzo[b]thieno[2,3-e][1,4]diazepine
CID 135409490
10H-Thieno(2,3-b)(1,5)benzodiazepine, 2-ethyl-4-(4-ethyl-1-piperazinyl)-
CID 135704094
10H-Thieno(2,3-b)(1,5)benzodiazepine, 2-ethyl-4-(4-propyl-1-piperazinyl)-
CID 135704095
10H-Thieno(2,3-b)(1,5)benzodiazepine, 2-ethyl-7-fluoro-4-(4-propyl-1-piperazinyl)-
CID 135704096

Frequently Asked Questions

What is the IUPAC name of [4-(4-methylpiperazin-1-yl)-10H-thieno[2,3-b][1,5]benzodiazepin-2-yl]methanol?
The IUPAC name of [4-(4-methylpiperazin-1-yl)-10H-thieno[2,3-b][1,5]benzodiazepin-2-yl]methanol (CID 135515431) is [4-(4-methylpiperazin-1-yl)-10H-thieno[2,3-b][1,5]benzodiazepin-2-yl]methanol.
What is the SMILES notation for [4-(4-methylpiperazin-1-yl)-10H-thieno[2,3-b][1,5]benzodiazepin-2-yl]methanol?
The canonical SMILES for [4-(4-methylpiperazin-1-yl)-10H-thieno[2,3-b][1,5]benzodiazepin-2-yl]methanol is CN1CCN(C2=Nc3ccccc3Nc3sc(CO)cc32)CC1.
What is the InChIKey of [4-(4-methylpiperazin-1-yl)-10H-thieno[2,3-b][1,5]benzodiazepin-2-yl]methanol?
The InChIKey is FPDIERBPQFAFSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4OS/c1-20-6-8-21(9-7-20)16-13-10-12(11-22)23-17(13)19-15-5-3-2-4-14(15)18-16/h2-5,10,19,22H,6-9,11H2,1H3.
What are the key properties of [4-(4-methylpiperazin-1-yl)-10H-thieno[2,3-b][1,5]benzodiazepin-2-yl]methanol?
[4-(4-methylpiperazin-1-yl)-10H-thieno[2,3-b][1,5]benzodiazepin-2-yl]methanol has a molecular weight of 328.44 g/mol, XLogP of 2.62, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methylpiperazin-1-yl)-10H-thieno[2,3-b][1,5]benzodiazepin-2-yl]methanol is sourced from PubChem (CID 135515431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).