4-(1,3-benzothiazol-2-yl)-1H-pyrazole-3,5-diamine

C10H9N5S — CID 15651033

IUPAC4-(1,3-benzothiazol-2-yl)-1H-pyrazole-3,5-diamine
SMILESNc1n[nH]c(N)c1-c1nc2ccccc2s1
InChIInChI=1S/C10H9N5S/c11-8-7(9(12)15-14-8)10-13-5-3-1-2-4-6(5)16-10/h1-4H,(H5,11,12,14,15)
InChIKeyWXPLYRJRDFOXNS-UHFFFAOYSA-N
MW231.28 g/mol
LogP1.85
Rot. Bonds1

About 4-(1,3-benzothiazol-2-yl)-1H-pyrazole-3,5-diamine

4-(1,3-benzothiazol-2-yl)-1H-pyrazole-3,5-diamine (PubChem CID 15651033) has the molecular formula C10H9N5S and a molecular weight of 231.28 g/mol. Its IUPAC name is 4-(1,3-benzothiazol-2-yl)-1H-pyrazole-3,5-diamine.

Molecular Properties

Compound Name4-(1,3-benzothiazol-2-yl)-1H-pyrazole-3,5-diamine
PubChem CID15651033
Molecular FormulaC10H9N5S
Molecular Weight231.28 g/mol
Exact Mass231.06
IUPAC Name4-(1,3-benzothiazol-2-yl)-1H-pyrazole-3,5-diamine
SMILESNc1n[nH]c(N)c1-c1nc2ccccc2s1
InChIInChI=1S/C10H9N5S/c11-8-7(9(12)15-14-8)10-13-5-3-1-2-4-6(5)16-10/h1-4H,(H5,11,12,14,15)
InChIKeyWXPLYRJRDFOXNS-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 4-(1,3-benzothiazol-2-yl)-1H-pyrazole-3,5-diamine?
The IUPAC name of 4-(1,3-benzothiazol-2-yl)-1H-pyrazole-3,5-diamine (CID 15651033) is 4-(1,3-benzothiazol-2-yl)-1H-pyrazole-3,5-diamine.
What is the SMILES notation for 4-(1,3-benzothiazol-2-yl)-1H-pyrazole-3,5-diamine?
The canonical SMILES for 4-(1,3-benzothiazol-2-yl)-1H-pyrazole-3,5-diamine is Nc1n[nH]c(N)c1-c1nc2ccccc2s1.
What is the InChIKey of 4-(1,3-benzothiazol-2-yl)-1H-pyrazole-3,5-diamine?
The InChIKey is WXPLYRJRDFOXNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5S/c11-8-7(9(12)15-14-8)10-13-5-3-1-2-4-6(5)16-10/h1-4H,(H5,11,12,14,15).
What are the key properties of 4-(1,3-benzothiazol-2-yl)-1H-pyrazole-3,5-diamine?
4-(1,3-benzothiazol-2-yl)-1H-pyrazole-3,5-diamine 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 4-(1,3-benzothiazol-2-yl)-1H-pyrazole-3,5-diamine is sourced from PubChem (CID 15651033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).