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

C10H9N5S — CID 174825755

IUPAC6-(4-amino-1H-pyrazol-5-yl)-1,3-benzothiazol-2-amine
SMILESNc1nc2ccc(-c3[nH]ncc3N)cc2s1
InChIInChI=1S/C10H9N5S/c11-6-4-13-15-9(6)5-1-2-7-8(3-5)16-10(12)14-7/h1-4H,11H2,(H2,12,14)(H,13,15)
InChIKeyWQOPTOFKPRGVIL-UHFFFAOYSA-N
MW231.28 g/mol
LogP1.85
Rot. Bonds1

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

6-(4-amino-1H-pyrazol-5-yl)-1,3-benzothiazol-2-amine (PubChem CID 174825755) has the molecular formula C10H9N5S and a molecular weight of 231.28 g/mol. Its IUPAC name is 6-(4-amino-1H-pyrazol-5-yl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-(4-amino-1H-pyrazol-5-yl)-1,3-benzothiazol-2-amine
PubChem CID174825755
Molecular FormulaC10H9N5S
Molecular Weight231.28 g/mol
Exact Mass231.06
IUPAC Name6-(4-amino-1H-pyrazol-5-yl)-1,3-benzothiazol-2-amine
SMILESNc1nc2ccc(-c3[nH]ncc3N)cc2s1
InChIInChI=1S/C10H9N5S/c11-6-4-13-15-9(6)5-1-2-7-8(3-5)16-10(12)14-7/h1-4H,11H2,(H2,12,14)(H,13,15)
InChIKeyWQOPTOFKPRGVIL-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

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Frequently Asked Questions

What is the IUPAC name of 6-(4-amino-1H-pyrazol-5-yl)-1,3-benzothiazol-2-amine?
The IUPAC name of 6-(4-amino-1H-pyrazol-5-yl)-1,3-benzothiazol-2-amine (CID 174825755) is 6-(4-amino-1H-pyrazol-5-yl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-(4-amino-1H-pyrazol-5-yl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-(4-amino-1H-pyrazol-5-yl)-1,3-benzothiazol-2-amine is Nc1nc2ccc(-c3[nH]ncc3N)cc2s1.
What is the InChIKey of 6-(4-amino-1H-pyrazol-5-yl)-1,3-benzothiazol-2-amine?
The InChIKey is WQOPTOFKPRGVIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5S/c11-6-4-13-15-9(6)5-1-2-7-8(3-5)16-10(12)14-7/h1-4H,11H2,(H2,12,14)(H,13,15).
What are the key properties of 6-(4-amino-1H-pyrazol-5-yl)-1,3-benzothiazol-2-amine?
6-(4-amino-1H-pyrazol-5-yl)-1,3-benzothiazol-2-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 6-(4-amino-1H-pyrazol-5-yl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 174825755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).