2-(pyrazolo[1,5-a]pyrimidin-7-ylmethylamino)-1,3-thiazole-5-sulfonamide

C10H10N6O2S2 — CID 133439868

IUPAC2-(pyrazolo[1,5-a]pyrimidin-7-ylmethylamino)-1,3-thiazole-5-sulfonamide
SMILESNS(=O)(=O)c1cnc(NCc2ccnc3ccnn23)s1
InChIInChI=1S/C10H10N6O2S2/c11-20(17,18)9-6-14-10(19-9)13-5-7-1-3-12-8-2-4-15-16(7)8/h1-4,6H,5H2,(H,13,14)(H2,11,17,18)
InChIKeyZPZBGGVGVITGGS-UHFFFAOYSA-N
MW310.36 g/mol
LogP0.45
Rot. Bonds4

About 2-(pyrazolo[1,5-a]pyrimidin-7-ylmethylamino)-1,3-thiazole-5-sulfonamide

2-(pyrazolo[1,5-a]pyrimidin-7-ylmethylamino)-1,3-thiazole-5-sulfonamide (PubChem CID 133439868) has the molecular formula C10H10N6O2S2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 2-(pyrazolo[1,5-a]pyrimidin-7-ylmethylamino)-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-(pyrazolo[1,5-a]pyrimidin-7-ylmethylamino)-1,3-thiazole-5-sulfonamide
PubChem CID133439868
Molecular FormulaC10H10N6O2S2
Molecular Weight310.36 g/mol
Exact Mass310.03
IUPAC Name2-(pyrazolo[1,5-a]pyrimidin-7-ylmethylamino)-1,3-thiazole-5-sulfonamide
SMILESNS(=O)(=O)c1cnc(NCc2ccnc3ccnn23)s1
InChIInChI=1S/C10H10N6O2S2/c11-20(17,18)9-6-14-10(19-9)13-5-7-1-3-12-8-2-4-15-16(7)8/h1-4,6H,5H2,(H,13,14)(H2,11,17,18)
InChIKeyZPZBGGVGVITGGS-UHFFFAOYSA-N
XLogP0.45
TPSA115.27 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(pyrazolo[1,5-a]pyrimidin-7-ylmethylamino)-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-(pyrazolo[1,5-a]pyrimidin-7-ylmethylamino)-1,3-thiazole-5-sulfonamide (CID 133439868) is 2-(pyrazolo[1,5-a]pyrimidin-7-ylmethylamino)-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-(pyrazolo[1,5-a]pyrimidin-7-ylmethylamino)-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-(pyrazolo[1,5-a]pyrimidin-7-ylmethylamino)-1,3-thiazole-5-sulfonamide is NS(=O)(=O)c1cnc(NCc2ccnc3ccnn23)s1.
What is the InChIKey of 2-(pyrazolo[1,5-a]pyrimidin-7-ylmethylamino)-1,3-thiazole-5-sulfonamide?
The InChIKey is ZPZBGGVGVITGGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N6O2S2/c11-20(17,18)9-6-14-10(19-9)13-5-7-1-3-12-8-2-4-15-16(7)8/h1-4,6H,5H2,(H,13,14)(H2,11,17,18).
What are the key properties of 2-(pyrazolo[1,5-a]pyrimidin-7-ylmethylamino)-1,3-thiazole-5-sulfonamide?
2-(pyrazolo[1,5-a]pyrimidin-7-ylmethylamino)-1,3-thiazole-5-sulfonamide has a molecular weight of 310.36 g/mol, XLogP of 0.45, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyrazolo[1,5-a]pyrimidin-7-ylmethylamino)-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 133439868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).