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

C10H8N4S — CID 16785010

IUPAC4-(1,3-benzothiazol-2-yl)-1H-pyrazol-5-amine
SMILESNc1[nH]ncc1-c1nc2ccccc2s1
InChIInChI=1S/C10H8N4S/c11-9-6(5-12-14-9)10-13-7-3-1-2-4-8(7)15-10/h1-5H,(H3,11,12,14)
InChIKeyWJYXQGODMGVTKA-UHFFFAOYSA-N
MW216.27 g/mol
LogP2.27
Rot. Bonds1

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

4-(1,3-benzothiazol-2-yl)-1H-pyrazol-5-amine (PubChem CID 16785010) has the molecular formula C10H8N4S and a molecular weight of 216.27 g/mol. Its IUPAC name is 4-(1,3-benzothiazol-2-yl)-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-(1,3-benzothiazol-2-yl)-1H-pyrazol-5-amine
PubChem CID16785010
Molecular FormulaC10H8N4S
Molecular Weight216.27 g/mol
Exact Mass216.05
IUPAC Name4-(1,3-benzothiazol-2-yl)-1H-pyrazol-5-amine
SMILESNc1[nH]ncc1-c1nc2ccccc2s1
InChIInChI=1S/C10H8N4S/c11-9-6(5-12-14-9)10-13-7-3-1-2-4-8(7)15-10/h1-5H,(H3,11,12,14)
InChIKeyWJYXQGODMGVTKA-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

Computed Properties (RDKit)

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

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Related Compounds

US8754233, (4-Benzothiazol-2-yl-1H-pyrazol-3-yl)-[2-(1H-imidazol-4-yl)-ethyl]-amine
CID 66768033
US8754233, 2-(3-Amino-1H-pyrazol-4-yl)-5-fluoro-benzothiazole-6-sulfonic acid amide
CID 66768275
4-Benzothiazol-2-YL-5-(3-methylamino-propyl)-2H-pyrazol-3-ylamine
CID 66768141
2-(1H-Pyrazol-5-yl)-1,3-benzothiazole
CID 24208803
2-(1H-pyrazol-4-yl)-1,3-benzothiazole
CID 45077572
4-(1,3-benzothiazol-2-yl)-N~5~-phenyl-1H-pyrazole-3,5-diamine
CID 86340067
US8754233, 4-Benzothiazol-2-yl-1H-pyrazole-3,5-diamine
CID 15651033
US8754233, 4-Benzothiazol-2-yl-5-ethyl-1H-pyrazol-3-ylamine
CID 28285639
US8754233, 4-Benzothiazol-2-yl-5-phenyl-1H-pyrazol-3-ylamine
CID 28285645
US8754233, 4-Benzothiazol-2-yl-5-cyclopropyl-2H-pyrazol-3-ylamine
CID 28285652
US8754233, 4-Benzothiazol-2-yl-5-thiophen-2-yl-2H-pyrazol-3-ylamine
CID 28285658
US8754233, 4-Benzothiazol-2-yl-5-methyl-1H-pyrazol-3-ylamine
CID 28286160

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzothiazol-2-yl)-1H-pyrazol-5-amine?
The IUPAC name of 4-(1,3-benzothiazol-2-yl)-1H-pyrazol-5-amine (CID 16785010) is 4-(1,3-benzothiazol-2-yl)-1H-pyrazol-5-amine.
What is the SMILES notation for 4-(1,3-benzothiazol-2-yl)-1H-pyrazol-5-amine?
The canonical SMILES for 4-(1,3-benzothiazol-2-yl)-1H-pyrazol-5-amine is Nc1[nH]ncc1-c1nc2ccccc2s1.
What is the InChIKey of 4-(1,3-benzothiazol-2-yl)-1H-pyrazol-5-amine?
The InChIKey is WJYXQGODMGVTKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4S/c11-9-6(5-12-14-9)10-13-7-3-1-2-4-8(7)15-10/h1-5H,(H3,11,12,14).
What are the key properties of 4-(1,3-benzothiazol-2-yl)-1H-pyrazol-5-amine?
4-(1,3-benzothiazol-2-yl)-1H-pyrazol-5-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 4-(1,3-benzothiazol-2-yl)-1H-pyrazol-5-amine is sourced from PubChem (CID 16785010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).