3-[4-[6-(1-methylpyrazol-4-yl)pyrazin-2-yl]piperazin-1-yl]-1,2-benzothiazole 1,1-dioxide

C19H19N7O2S — CID 163352482

IUPAC3-[4-[6-(1-methylpyrazol-4-yl)pyrazin-2-yl]piperazin-1-yl]-1,2-benzothiazole 1,1-dioxide
SMILESCn1cc(-c2cncc(N3CCN(C4=NS(=O)(=O)c5ccccc54)CC3)n2)cn1
InChIInChI=1S/C19H19N7O2S/c1-24-13-14(10-21-24)16-11-20-12-18(22-16)25-6-8-26(9-7-25)19-15-4-2-3-5-17(15)29(27,28)23-19/h2-5,10-13H,6-9H2,1H3
InChIKeyRKBKFMAZNQOTKF-UHFFFAOYSA-N
MW409.48 g/mol
LogP1.15
Rot. Bonds2

About 3-[4-[6-(1-methylpyrazol-4-yl)pyrazin-2-yl]piperazin-1-yl]-1,2-benzothiazole 1,1-dioxide

3-[4-[6-(1-methylpyrazol-4-yl)pyrazin-2-yl]piperazin-1-yl]-1,2-benzothiazole 1,1-dioxide (PubChem CID 163352482) has the molecular formula C19H19N7O2S and a molecular weight of 409.48 g/mol. Its IUPAC name is 3-[4-[6-(1-methylpyrazol-4-yl)pyrazin-2-yl]piperazin-1-yl]-1,2-benzothiazole 1,1-dioxide.

Molecular Properties

Compound Name3-[4-[6-(1-methylpyrazol-4-yl)pyrazin-2-yl]piperazin-1-yl]-1,2-benzothiazole 1,1-dioxide
PubChem CID163352482
Molecular FormulaC19H19N7O2S
Molecular Weight409.48 g/mol
Exact Mass409.13
IUPAC Name3-[4-[6-(1-methylpyrazol-4-yl)pyrazin-2-yl]piperazin-1-yl]-1,2-benzothiazole 1,1-dioxide
SMILESCn1cc(-c2cncc(N3CCN(C4=NS(=O)(=O)c5ccccc54)CC3)n2)cn1
InChIInChI=1S/C19H19N7O2S/c1-24-13-14(10-21-24)16-11-20-12-18(22-16)25-6-8-26(9-7-25)19-15-4-2-3-5-17(15)29(27,28)23-19/h2-5,10-13H,6-9H2,1H3
InChIKeyRKBKFMAZNQOTKF-UHFFFAOYSA-N
XLogP1.15
TPSA96.58 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.48
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[6-(1-methylpyrazol-4-yl)pyrazin-2-yl]piperazin-1-yl]-1,2-benzothiazole 1,1-dioxide?
The IUPAC name of 3-[4-[6-(1-methylpyrazol-4-yl)pyrazin-2-yl]piperazin-1-yl]-1,2-benzothiazole 1,1-dioxide (CID 163352482) is 3-[4-[6-(1-methylpyrazol-4-yl)pyrazin-2-yl]piperazin-1-yl]-1,2-benzothiazole 1,1-dioxide.
What is the SMILES notation for 3-[4-[6-(1-methylpyrazol-4-yl)pyrazin-2-yl]piperazin-1-yl]-1,2-benzothiazole 1,1-dioxide?
The canonical SMILES for 3-[4-[6-(1-methylpyrazol-4-yl)pyrazin-2-yl]piperazin-1-yl]-1,2-benzothiazole 1,1-dioxide is Cn1cc(-c2cncc(N3CCN(C4=NS(=O)(=O)c5ccccc54)CC3)n2)cn1.
What is the InChIKey of 3-[4-[6-(1-methylpyrazol-4-yl)pyrazin-2-yl]piperazin-1-yl]-1,2-benzothiazole 1,1-dioxide?
The InChIKey is RKBKFMAZNQOTKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7O2S/c1-24-13-14(10-21-24)16-11-20-12-18(22-16)25-6-8-26(9-7-25)19-15-4-2-3-5-17(15)29(27,28)23-19/h2-5,10-13H,6-9H2,1H3.
What are the key properties of 3-[4-[6-(1-methylpyrazol-4-yl)pyrazin-2-yl]piperazin-1-yl]-1,2-benzothiazole 1,1-dioxide?
3-[4-[6-(1-methylpyrazol-4-yl)pyrazin-2-yl]piperazin-1-yl]-1,2-benzothiazole 1,1-dioxide has a molecular weight of 409.48 g/mol, XLogP of 1.15, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[6-(1-methylpyrazol-4-yl)pyrazin-2-yl]piperazin-1-yl]-1,2-benzothiazole 1,1-dioxide is sourced from PubChem (CID 163352482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).