4-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)-10H-thieno[3,4-b][1,5]benzodiazepine

C17H17F3N4S — CID 3045910

IUPAC4-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)-10H-thieno[3,4-b][1,5]benzodiazepine
SMILESCN1CCN(C2=Nc3cc(C(F)(F)F)ccc3Nc3cscc32)CC1
InChIInChI=1S/C17H17F3N4S/c1-23-4-6-24(7-5-23)16-12-9-25-10-15(12)21-13-3-2-11(17(18,19)20)8-14(13)22-16/h2-3,8-10,21H,4-7H2,1H3
InChIKeyJGHGOSLABOGNBO-UHFFFAOYSA-N
MW366.41 g/mol
LogP4.15
Rot. Bonds

About 4-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)-10H-thieno[3,4-b][1,5]benzodiazepine

4-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)-10H-thieno[3,4-b][1,5]benzodiazepine (PubChem CID 3045910) has the molecular formula C17H17F3N4S and a molecular weight of 366.41 g/mol. Its IUPAC name is 4-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)-10H-thieno[3,4-b][1,5]benzodiazepine.

Molecular Properties

Compound Name4-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)-10H-thieno[3,4-b][1,5]benzodiazepine
PubChem CID3045910
Molecular FormulaC17H17F3N4S
Molecular Weight366.41 g/mol
Exact Mass366.11
IUPAC Name4-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)-10H-thieno[3,4-b][1,5]benzodiazepine
SMILESCN1CCN(C2=Nc3cc(C(F)(F)F)ccc3Nc3cscc32)CC1
InChIInChI=1S/C17H17F3N4S/c1-23-4-6-24(7-5-23)16-12-9-25-10-15(12)21-13-3-2-11(17(18,19)20)8-14(13)22-16/h2-3,8-10,21H,4-7H2,1H3
InChIKeyJGHGOSLABOGNBO-UHFFFAOYSA-N
XLogP4.15
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.41
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Olanzapine
CID 135398745
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
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-fluoro-10-(4-methyl-1-piperazinyl)-
CID 3045911
4H-Thieno(3,2-b)(1,5)benzodiazepine, 10-(1-piperazinyl)-
CID 3045924

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)-10H-thieno[3,4-b][1,5]benzodiazepine?
The IUPAC name of 4-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)-10H-thieno[3,4-b][1,5]benzodiazepine (CID 3045910) is 4-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)-10H-thieno[3,4-b][1,5]benzodiazepine.
What is the SMILES notation for 4-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)-10H-thieno[3,4-b][1,5]benzodiazepine?
The canonical SMILES for 4-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)-10H-thieno[3,4-b][1,5]benzodiazepine is CN1CCN(C2=Nc3cc(C(F)(F)F)ccc3Nc3cscc32)CC1.
What is the InChIKey of 4-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)-10H-thieno[3,4-b][1,5]benzodiazepine?
The InChIKey is JGHGOSLABOGNBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N4S/c1-23-4-6-24(7-5-23)16-12-9-25-10-15(12)21-13-3-2-11(17(18,19)20)8-14(13)22-16/h2-3,8-10,21H,4-7H2,1H3.
What are the key properties of 4-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)-10H-thieno[3,4-b][1,5]benzodiazepine?
4-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)-10H-thieno[3,4-b][1,5]benzodiazepine has a molecular weight of 366.41 g/mol, XLogP of 4.15, 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)-7-(trifluoromethyl)-10H-thieno[3,4-b][1,5]benzodiazepine is sourced from PubChem (CID 3045910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).