2-amino-6H-pyrazolo[3,4-g][1,3]benzothiazole-8-carboxamide

C9H7N5OS — CID 58661929

IUPAC2-amino-6H-pyrazolo[3,4-g][1,3]benzothiazole-8-carboxamide
SMILESNC(=O)c1n[nH]c2ccc3nc(N)sc3c12
InChIInChI=1S/C9H7N5OS/c10-8(15)6-5-3(13-14-6)1-2-4-7(5)16-9(11)12-4/h1-2H,(H2,10,15)(H2,11,12)(H,13,14)
InChIKeySZJILMNCMWXUBA-UHFFFAOYSA-N
MW233.26 g/mol
LogP0.85
Rot. Bonds1

About 2-amino-6H-pyrazolo[3,4-g][1,3]benzothiazole-8-carboxamide

2-amino-6H-pyrazolo[3,4-g][1,3]benzothiazole-8-carboxamide (PubChem CID 58661929) has the molecular formula C9H7N5OS and a molecular weight of 233.26 g/mol. Its IUPAC name is 2-amino-6H-pyrazolo[3,4-g][1,3]benzothiazole-8-carboxamide.

Molecular Properties

Compound Name2-amino-6H-pyrazolo[3,4-g][1,3]benzothiazole-8-carboxamide
PubChem CID58661929
Molecular FormulaC9H7N5OS
Molecular Weight233.26 g/mol
Exact Mass233.04
IUPAC Name2-amino-6H-pyrazolo[3,4-g][1,3]benzothiazole-8-carboxamide
SMILESNC(=O)c1n[nH]c2ccc3nc(N)sc3c12
InChIInChI=1S/C9H7N5OS/c10-8(15)6-5-3(13-14-6)1-2-4-7(5)16-9(11)12-4/h1-2H,(H2,10,15)(H2,11,12)(H,13,14)
InChIKeySZJILMNCMWXUBA-UHFFFAOYSA-N
XLogP0.85
TPSA110.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6H-pyrazolo[3,4-g][1,3]benzothiazole-8-carboxamide?
The IUPAC name of 2-amino-6H-pyrazolo[3,4-g][1,3]benzothiazole-8-carboxamide (CID 58661929) is 2-amino-6H-pyrazolo[3,4-g][1,3]benzothiazole-8-carboxamide.
What is the SMILES notation for 2-amino-6H-pyrazolo[3,4-g][1,3]benzothiazole-8-carboxamide?
The canonical SMILES for 2-amino-6H-pyrazolo[3,4-g][1,3]benzothiazole-8-carboxamide is NC(=O)c1n[nH]c2ccc3nc(N)sc3c12.
What is the InChIKey of 2-amino-6H-pyrazolo[3,4-g][1,3]benzothiazole-8-carboxamide?
The InChIKey is SZJILMNCMWXUBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N5OS/c10-8(15)6-5-3(13-14-6)1-2-4-7(5)16-9(11)12-4/h1-2H,(H2,10,15)(H2,11,12)(H,13,14).
What are the key properties of 2-amino-6H-pyrazolo[3,4-g][1,3]benzothiazole-8-carboxamide?
2-amino-6H-pyrazolo[3,4-g][1,3]benzothiazole-8-carboxamide has a molecular weight of 233.26 g/mol, XLogP of 0.85, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6H-pyrazolo[3,4-g][1,3]benzothiazole-8-carboxamide is sourced from PubChem (CID 58661929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).