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

C10H8N4S — CID 117308135

IUPAC5-(1,2-benzothiazol-5-yl)-1H-pyrazol-3-amine
SMILESNc1cc(-c2ccc3sncc3c2)[nH]n1
InChIInChI=1S/C10H8N4S/c11-10-4-8(13-14-10)6-1-2-9-7(3-6)5-12-15-9/h1-5H,(H3,11,13,14)
InChIKeyRCIDFXASRZFERS-UHFFFAOYSA-N
MW216.27 g/mol
LogP2.27
Rot. Bonds1

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

5-(1,2-benzothiazol-5-yl)-1H-pyrazol-3-amine (PubChem CID 117308135) has the molecular formula C10H8N4S and a molecular weight of 216.27 g/mol. Its IUPAC name is 5-(1,2-benzothiazol-5-yl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(1,2-benzothiazol-5-yl)-1H-pyrazol-3-amine
PubChem CID117308135
Molecular FormulaC10H8N4S
Molecular Weight216.27 g/mol
Exact Mass216.05
IUPAC Name5-(1,2-benzothiazol-5-yl)-1H-pyrazol-3-amine
SMILESNc1cc(-c2ccc3sncc3c2)[nH]n1
InChIInChI=1S/C10H8N4S/c11-10-4-8(13-14-10)6-1-2-9-7(3-6)5-12-15-9/h1-5H,(H3,11,13,14)
InChIKeyRCIDFXASRZFERS-UHFFFAOYSA-N
XLogP2.27
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.27
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1,2-benzothiazol-5-yl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(1,2-benzothiazol-5-yl)-1H-pyrazol-3-amine (CID 117308135) is 5-(1,2-benzothiazol-5-yl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(1,2-benzothiazol-5-yl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(1,2-benzothiazol-5-yl)-1H-pyrazol-3-amine is Nc1cc(-c2ccc3sncc3c2)[nH]n1.
What is the InChIKey of 5-(1,2-benzothiazol-5-yl)-1H-pyrazol-3-amine?
The InChIKey is RCIDFXASRZFERS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4S/c11-10-4-8(13-14-10)6-1-2-9-7(3-6)5-12-15-9/h1-5H,(H3,11,13,14).
What are the key properties of 5-(1,2-benzothiazol-5-yl)-1H-pyrazol-3-amine?
5-(1,2-benzothiazol-5-yl)-1H-pyrazol-3-amine has a molecular weight of 216.27 g/mol, XLogP of 2.27, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,2-benzothiazol-5-yl)-1H-pyrazol-3-amine is sourced from PubChem (CID 117308135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).