2-(3-methylpyrazolo[4,3-b]quinoxalin-1-yl)-1,3-thiazole

C13H9N5S — CID 27036330

IUPAC2-(3-methylpyrazolo[4,3-b]quinoxalin-1-yl)-1,3-thiazole
SMILESCc1nn(-c2nccs2)c2nc3ccccc3nc12
InChIInChI=1S/C13H9N5S/c1-8-11-12(18(17-8)13-14-6-7-19-13)16-10-5-3-2-4-9(10)15-11/h2-7H,1H3
InChIKeyJXHHNWGVXYPQLZ-UHFFFAOYSA-N
MW267.32 g/mol
LogP2.73
Rot. Bonds1

About 2-(3-methylpyrazolo[4,3-b]quinoxalin-1-yl)-1,3-thiazole

2-(3-methylpyrazolo[4,3-b]quinoxalin-1-yl)-1,3-thiazole (PubChem CID 27036330) has the molecular formula C13H9N5S and a molecular weight of 267.32 g/mol. Its IUPAC name is 2-(3-methylpyrazolo[4,3-b]quinoxalin-1-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-(3-methylpyrazolo[4,3-b]quinoxalin-1-yl)-1,3-thiazole
PubChem CID27036330
Molecular FormulaC13H9N5S
Molecular Weight267.32 g/mol
Exact Mass267.06
IUPAC Name2-(3-methylpyrazolo[4,3-b]quinoxalin-1-yl)-1,3-thiazole
SMILESCc1nn(-c2nccs2)c2nc3ccccc3nc12
InChIInChI=1S/C13H9N5S/c1-8-11-12(18(17-8)13-14-6-7-19-13)16-10-5-3-2-4-9(10)15-11/h2-7H,1H3
InChIKeyJXHHNWGVXYPQLZ-UHFFFAOYSA-N
XLogP2.73
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylpyrazolo[4,3-b]quinoxalin-1-yl)-1,3-thiazole?
The IUPAC name of 2-(3-methylpyrazolo[4,3-b]quinoxalin-1-yl)-1,3-thiazole (CID 27036330) is 2-(3-methylpyrazolo[4,3-b]quinoxalin-1-yl)-1,3-thiazole.
What is the SMILES notation for 2-(3-methylpyrazolo[4,3-b]quinoxalin-1-yl)-1,3-thiazole?
The canonical SMILES for 2-(3-methylpyrazolo[4,3-b]quinoxalin-1-yl)-1,3-thiazole is Cc1nn(-c2nccs2)c2nc3ccccc3nc12.
What is the InChIKey of 2-(3-methylpyrazolo[4,3-b]quinoxalin-1-yl)-1,3-thiazole?
The InChIKey is JXHHNWGVXYPQLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N5S/c1-8-11-12(18(17-8)13-14-6-7-19-13)16-10-5-3-2-4-9(10)15-11/h2-7H,1H3.
What are the key properties of 2-(3-methylpyrazolo[4,3-b]quinoxalin-1-yl)-1,3-thiazole?
2-(3-methylpyrazolo[4,3-b]quinoxalin-1-yl)-1,3-thiazole has a molecular weight of 267.32 g/mol, XLogP of 2.73, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylpyrazolo[4,3-b]quinoxalin-1-yl)-1,3-thiazole is sourced from PubChem (CID 27036330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).