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Olanzapine

C17H20N4S — CID 135398745

💊View drug profile → olanzapine

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-methyl-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3-b][1,5]benzodiazepine
SMILESCc1cc2c(s1)Nc1ccccc1N=C2N1CCN(C)CC1
InChIInChI=1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,19H,7-10H2,1-2H3
InChIKeyKVWDHTXUZHCGIO-UHFFFAOYSA-N
MW312.44 g/mol
LogP3.44
Rot. Bonds

About Olanzapine

Olanzapine (PubChem CID 135398745) has the molecular formula C17H20N4S and a molecular weight of 312.44 g/mol. Its IUPAC name is 2-methyl-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3-b][1,5]benzodiazepine.

Molecular Properties

Compound NameOlanzapine
PubChem CID135398745
Molecular FormulaC17H20N4S
Molecular Weight312.44 g/mol
Exact Mass312.14
IUPAC Name2-methyl-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3-b][1,5]benzodiazepine
SMILESCc1cc2c(s1)Nc1ccccc1N=C2N1CCN(C)CC1
InChIInChI=1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,19H,7-10H2,1-2H3
InChIKeyKVWDHTXUZHCGIO-UHFFFAOYSA-N
XLogP3.44
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Flumezapine
CID 135413528
Desmethylolanzapine
CID 135446209
1H-(1)Benzothieno(2,3-b)(1,5)benzodiazepine, 2,3,4,6-tetrahydro-9-fluoro-12-(4-methyl-1-piperazinyl)-
CID 135624018
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
4-(4-Methyl-1-piperazinyl)-10H-thieno(2,3-b)(1,5)benzodiazepine-2-methanol
CID 135515431
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

Frequently Asked Questions

What is the IUPAC name of Olanzapine?
The IUPAC name of Olanzapine (CID 135398745) is 2-methyl-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3-b][1,5]benzodiazepine.
What is the SMILES notation for Olanzapine?
The canonical SMILES for Olanzapine is Cc1cc2c(s1)Nc1ccccc1N=C2N1CCN(C)CC1.
What is the InChIKey of Olanzapine?
The InChIKey is KVWDHTXUZHCGIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,19H,7-10H2,1-2H3.
What are the key properties of Olanzapine?
Olanzapine has a molecular weight of 312.44 g/mol, XLogP of 3.44, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for Olanzapine is sourced from PubChem (CID 135398745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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