3-(4-imidazo[1,2-a]pyrazin-8-ylpiperazin-1-yl)-1,2-benzothiazole 1,1-dioxide

C17H16N6O2S — CID 165433676

IUPAC3-(4-imidazo[1,2-a]pyrazin-8-ylpiperazin-1-yl)-1,2-benzothiazole 1,1-dioxide
SMILESO=S1(=O)N=C(N2CCN(c3nccn4ccnc34)CC2)c2ccccc21
InChIInChI=1S/C17H16N6O2S/c24-26(25)14-4-2-1-3-13(14)15(20-26)22-9-11-23(12-10-22)17-16-18-5-7-21(16)8-6-19-17/h1-8H,9-12H2
InChIKeyZFRAQHMFSMXZLI-UHFFFAOYSA-N
MW368.42 g/mol
LogP1.00
Rot. Bonds1

About 3-(4-imidazo[1,2-a]pyrazin-8-ylpiperazin-1-yl)-1,2-benzothiazole 1,1-dioxide

3-(4-imidazo[1,2-a]pyrazin-8-ylpiperazin-1-yl)-1,2-benzothiazole 1,1-dioxide (PubChem CID 165433676) has the molecular formula C17H16N6O2S and a molecular weight of 368.42 g/mol. Its IUPAC name is 3-(4-imidazo[1,2-a]pyrazin-8-ylpiperazin-1-yl)-1,2-benzothiazole 1,1-dioxide.

Molecular Properties

Compound Name3-(4-imidazo[1,2-a]pyrazin-8-ylpiperazin-1-yl)-1,2-benzothiazole 1,1-dioxide
PubChem CID165433676
Molecular FormulaC17H16N6O2S
Molecular Weight368.42 g/mol
Exact Mass368.11
IUPAC Name3-(4-imidazo[1,2-a]pyrazin-8-ylpiperazin-1-yl)-1,2-benzothiazole 1,1-dioxide
SMILESO=S1(=O)N=C(N2CCN(c3nccn4ccnc34)CC2)c2ccccc21
InChIInChI=1S/C17H16N6O2S/c24-26(25)14-4-2-1-3-13(14)15(20-26)22-9-11-23(12-10-22)17-16-18-5-7-21(16)8-6-19-17/h1-8H,9-12H2
InChIKeyZFRAQHMFSMXZLI-UHFFFAOYSA-N
XLogP1.00
TPSA83.17 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.42
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(4-imidazo[1,2-a]pyrazin-8-ylpiperazin-1-yl)-1,2-benzothiazole 1,1-dioxide?
The IUPAC name of 3-(4-imidazo[1,2-a]pyrazin-8-ylpiperazin-1-yl)-1,2-benzothiazole 1,1-dioxide (CID 165433676) is 3-(4-imidazo[1,2-a]pyrazin-8-ylpiperazin-1-yl)-1,2-benzothiazole 1,1-dioxide.
What is the SMILES notation for 3-(4-imidazo[1,2-a]pyrazin-8-ylpiperazin-1-yl)-1,2-benzothiazole 1,1-dioxide?
The canonical SMILES for 3-(4-imidazo[1,2-a]pyrazin-8-ylpiperazin-1-yl)-1,2-benzothiazole 1,1-dioxide is O=S1(=O)N=C(N2CCN(c3nccn4ccnc34)CC2)c2ccccc21.
What is the InChIKey of 3-(4-imidazo[1,2-a]pyrazin-8-ylpiperazin-1-yl)-1,2-benzothiazole 1,1-dioxide?
The InChIKey is ZFRAQHMFSMXZLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6O2S/c24-26(25)14-4-2-1-3-13(14)15(20-26)22-9-11-23(12-10-22)17-16-18-5-7-21(16)8-6-19-17/h1-8H,9-12H2.
What are the key properties of 3-(4-imidazo[1,2-a]pyrazin-8-ylpiperazin-1-yl)-1,2-benzothiazole 1,1-dioxide?
3-(4-imidazo[1,2-a]pyrazin-8-ylpiperazin-1-yl)-1,2-benzothiazole 1,1-dioxide has a molecular weight of 368.42 g/mol, XLogP of 1.00, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-imidazo[1,2-a]pyrazin-8-ylpiperazin-1-yl)-1,2-benzothiazole 1,1-dioxide is sourced from PubChem (CID 165433676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).