2-(5-amino-1H-pyrazol-4-yl)-1,3-benzothiazol-6-amine

C10H9N5S — CID 66768232

IUPAC2-(5-amino-1H-pyrazol-4-yl)-1,3-benzothiazol-6-amine
SMILESNc1ccc2nc(-c3cn[nH]c3N)sc2c1
InChIInChI=1S/C10H9N5S/c11-5-1-2-7-8(3-5)16-10(14-7)6-4-13-15-9(6)12/h1-4H,11H2,(H3,12,13,15)
InChIKeyHGNBEIZSJKIPRI-UHFFFAOYSA-N
MW231.28 g/mol
LogP1.85
Rot. Bonds1

About 2-(5-amino-1H-pyrazol-4-yl)-1,3-benzothiazol-6-amine

2-(5-amino-1H-pyrazol-4-yl)-1,3-benzothiazol-6-amine (PubChem CID 66768232) has the molecular formula C10H9N5S and a molecular weight of 231.28 g/mol. Its IUPAC name is 2-(5-amino-1H-pyrazol-4-yl)-1,3-benzothiazol-6-amine.

Molecular Properties

Compound Name2-(5-amino-1H-pyrazol-4-yl)-1,3-benzothiazol-6-amine
PubChem CID66768232
Molecular FormulaC10H9N5S
Molecular Weight231.28 g/mol
Exact Mass231.06
IUPAC Name2-(5-amino-1H-pyrazol-4-yl)-1,3-benzothiazol-6-amine
SMILESNc1ccc2nc(-c3cn[nH]c3N)sc2c1
InChIInChI=1S/C10H9N5S/c11-5-1-2-7-8(3-5)16-10(14-7)6-4-13-15-9(6)12/h1-4H,11H2,(H3,12,13,15)
InChIKeyHGNBEIZSJKIPRI-UHFFFAOYSA-N
XLogP1.85
TPSA93.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.28
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrazole_amino_B(1)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-1H-pyrazol-4-yl)-1,3-benzothiazol-6-amine?
The IUPAC name of 2-(5-amino-1H-pyrazol-4-yl)-1,3-benzothiazol-6-amine (CID 66768232) is 2-(5-amino-1H-pyrazol-4-yl)-1,3-benzothiazol-6-amine.
What is the SMILES notation for 2-(5-amino-1H-pyrazol-4-yl)-1,3-benzothiazol-6-amine?
The canonical SMILES for 2-(5-amino-1H-pyrazol-4-yl)-1,3-benzothiazol-6-amine is Nc1ccc2nc(-c3cn[nH]c3N)sc2c1.
What is the InChIKey of 2-(5-amino-1H-pyrazol-4-yl)-1,3-benzothiazol-6-amine?
The InChIKey is HGNBEIZSJKIPRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5S/c11-5-1-2-7-8(3-5)16-10(14-7)6-4-13-15-9(6)12/h1-4H,11H2,(H3,12,13,15).
What are the key properties of 2-(5-amino-1H-pyrazol-4-yl)-1,3-benzothiazol-6-amine?
2-(5-amino-1H-pyrazol-4-yl)-1,3-benzothiazol-6-amine has a molecular weight of 231.28 g/mol, XLogP of 1.85, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-1H-pyrazol-4-yl)-1,3-benzothiazol-6-amine is sourced from PubChem (CID 66768232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).