5-piperazin-1-ylimidazo[2,1-b][1,3,5]benzothiadiazepine;hydrobromide

C14H16BrN5S — CID 70476824

IUPAC5-piperazin-1-ylimidazo[2,1-b][1,3,5]benzothiadiazepine;hydrobromide
SMILESBr.c1ccc2c(c1)N=C(N1CCNCC1)n1ccnc1S2
InChIInChI=1S/C14H15N5S.BrH/c1-2-4-12-11(3-1)17-13(18-8-5-15-6-9-18)19-10-7-16-14(19)20-12;/h1-4,7,10,15H,5-6,8-9H2;1H
InChIKeyXYYUSXAWPQSBIT-UHFFFAOYSA-N
MW366.29 g/mol
LogP2.37
Rot. Bonds

About 5-piperazin-1-ylimidazo[2,1-b][1,3,5]benzothiadiazepine;hydrobromide

5-piperazin-1-ylimidazo[2,1-b][1,3,5]benzothiadiazepine;hydrobromide (PubChem CID 70476824) has the molecular formula C14H16BrN5S and a molecular weight of 366.29 g/mol. Its IUPAC name is 5-piperazin-1-ylimidazo[2,1-b][1,3,5]benzothiadiazepine;hydrobromide.

Molecular Properties

Compound Name5-piperazin-1-ylimidazo[2,1-b][1,3,5]benzothiadiazepine;hydrobromide
PubChem CID70476824
Molecular FormulaC14H16BrN5S
Molecular Weight366.29 g/mol
Exact Mass365.03
IUPAC Name5-piperazin-1-ylimidazo[2,1-b][1,3,5]benzothiadiazepine;hydrobromide
SMILESBr.c1ccc2c(c1)N=C(N1CCNCC1)n1ccnc1S2
InChIInChI=1S/C14H15N5S.BrH/c1-2-4-12-11(3-1)17-13(18-8-5-15-6-9-18)19-10-7-16-14(19)20-12;/h1-4,7,10,15H,5-6,8-9H2;1H
InChIKeyXYYUSXAWPQSBIT-UHFFFAOYSA-N
XLogP2.37
TPSA45.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.29
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(Z)-but-2-enedioic acid;5-(4-methylpiperazin-1-yl)imidazo[2,1-b][1,3,5]benzothiadiazepine
CID 6435401
imidazo[2,1-b][1,3,5]benzothiadiazepine;dihydrochloride
CID 172768799
2-hydroxy-2-phenylacetic acid;6-piperazin-1-ylbenzo[b][1,4]benzothiazepine
CID 16756126
2-(4-benzo[b][1,4]benzothiazepin-6-ylpiperazin-1-yl)ethanol;2-bromoethanol;6-piperazin-1-ylbenzo[b][1,4]benzothiazepine
CID 159057395
1-[4-(2-methylimidazol-1-yl)phenyl]piperazine
CID 82513449
1-(2-piperazin-1-ylphenyl)piperazine;hydrobromide
CID 118703673
6-[2-(2-piperazin-1-ylethoxy)ethoxy]benzo[b][1,4]benzothiazepine
CID 118985273
1-(3-methyl-2-pyridinyl)piperazine
CID 2760057
N-[(1-phenylimidazol-2-yl)methyl]-4-piperazin-1-ylaniline
CID 167800061
4-chloro-6-piperazin-1-ylbenzo[b][1,4]benzothiazepine
CID 91439010
4-(4-methylpiperazin-1-yl)-2-piperazin-1-yl-3H-1,5-benzodiazepine
CID 71054969
(1-methylimidazol-2-yl)-(2-piperazin-1-ylphenyl)methanol
CID 58996635

Frequently Asked Questions

What is the IUPAC name of 5-piperazin-1-ylimidazo[2,1-b][1,3,5]benzothiadiazepine;hydrobromide?
The IUPAC name of 5-piperazin-1-ylimidazo[2,1-b][1,3,5]benzothiadiazepine;hydrobromide (CID 70476824) is 5-piperazin-1-ylimidazo[2,1-b][1,3,5]benzothiadiazepine;hydrobromide.
What is the SMILES notation for 5-piperazin-1-ylimidazo[2,1-b][1,3,5]benzothiadiazepine;hydrobromide?
The canonical SMILES for 5-piperazin-1-ylimidazo[2,1-b][1,3,5]benzothiadiazepine;hydrobromide is Br.c1ccc2c(c1)N=C(N1CCNCC1)n1ccnc1S2.
What is the InChIKey of 5-piperazin-1-ylimidazo[2,1-b][1,3,5]benzothiadiazepine;hydrobromide?
The InChIKey is XYYUSXAWPQSBIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5S.BrH/c1-2-4-12-11(3-1)17-13(18-8-5-15-6-9-18)19-10-7-16-14(19)20-12;/h1-4,7,10,15H,5-6,8-9H2;1H.
What are the key properties of 5-piperazin-1-ylimidazo[2,1-b][1,3,5]benzothiadiazepine;hydrobromide?
5-piperazin-1-ylimidazo[2,1-b][1,3,5]benzothiadiazepine;hydrobromide has a molecular weight of 366.29 g/mol, XLogP of 2.37, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-piperazin-1-ylimidazo[2,1-b][1,3,5]benzothiadiazepine;hydrobromide is sourced from PubChem (CID 70476824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).