1H-pyrazolo[3,4-f][1,3]benzothiazol-3-amine

C8H6N4S — CID 89383797

IUPAC1H-pyrazolo[3,4-f][1,3]benzothiazol-3-amine
SMILESNc1n[nH]c2cc3ncsc3cc12
InChIInChI=1S/C8H6N4S/c9-8-4-1-7-6(10-3-13-7)2-5(4)11-12-8/h1-3H,(H3,9,11,12)
InChIKeyBEPQQFUIWLOPBJ-UHFFFAOYSA-N
MW190.23 g/mol
LogP1.75
Rot. Bonds

About 1H-pyrazolo[3,4-f][1,3]benzothiazol-3-amine

1H-pyrazolo[3,4-f][1,3]benzothiazol-3-amine (PubChem CID 89383797) has the molecular formula C8H6N4S and a molecular weight of 190.23 g/mol. Its IUPAC name is 1H-pyrazolo[3,4-f][1,3]benzothiazol-3-amine.

Molecular Properties

Compound Name1H-pyrazolo[3,4-f][1,3]benzothiazol-3-amine
PubChem CID89383797
Molecular FormulaC8H6N4S
Molecular Weight190.23 g/mol
Exact Mass190.03
IUPAC Name1H-pyrazolo[3,4-f][1,3]benzothiazol-3-amine
SMILESNc1n[nH]c2cc3ncsc3cc12
InChIInChI=1S/C8H6N4S/c9-8-4-1-7-6(10-3-13-7)2-5(4)11-12-8/h1-3H,(H3,9,11,12)
InChIKeyBEPQQFUIWLOPBJ-UHFFFAOYSA-N
XLogP1.75
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.23
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1H-pyrazolo[3,4-f][1,3]benzothiazol-3-amine?
The IUPAC name of 1H-pyrazolo[3,4-f][1,3]benzothiazol-3-amine (CID 89383797) is 1H-pyrazolo[3,4-f][1,3]benzothiazol-3-amine.
What is the SMILES notation for 1H-pyrazolo[3,4-f][1,3]benzothiazol-3-amine?
The canonical SMILES for 1H-pyrazolo[3,4-f][1,3]benzothiazol-3-amine is Nc1n[nH]c2cc3ncsc3cc12.
What is the InChIKey of 1H-pyrazolo[3,4-f][1,3]benzothiazol-3-amine?
The InChIKey is BEPQQFUIWLOPBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N4S/c9-8-4-1-7-6(10-3-13-7)2-5(4)11-12-8/h1-3H,(H3,9,11,12).
What are the key properties of 1H-pyrazolo[3,4-f][1,3]benzothiazol-3-amine?
1H-pyrazolo[3,4-f][1,3]benzothiazol-3-amine has a molecular weight of 190.23 g/mol, XLogP of 1.75, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrazolo[3,4-f][1,3]benzothiazol-3-amine is sourced from PubChem (CID 89383797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).