N-(1,3-thiazol-2-yldiazenyl)pyrazol-1-amine

C6H6N6S — CID 90841824

IUPACN-(1,3-thiazol-2-yldiazenyl)pyrazol-1-amine
SMILESc1cnn(NN=Nc2nccs2)c1
InChIInChI=1S/C6H6N6S/c1-2-8-12(4-1)11-10-9-6-7-3-5-13-6/h1-5H,(H,7,9,11)
InChIKeyFGSKDDBWZNLNND-UHFFFAOYSA-N
MW194.22 g/mol
LogP1.58
Rot. Bonds3

About N-(1,3-thiazol-2-yldiazenyl)pyrazol-1-amine

N-(1,3-thiazol-2-yldiazenyl)pyrazol-1-amine (PubChem CID 90841824) has the molecular formula C6H6N6S and a molecular weight of 194.22 g/mol. Its IUPAC name is N-(1,3-thiazol-2-yldiazenyl)pyrazol-1-amine.

Molecular Properties

Compound NameN-(1,3-thiazol-2-yldiazenyl)pyrazol-1-amine
PubChem CID90841824
Molecular FormulaC6H6N6S
Molecular Weight194.22 g/mol
Exact Mass194.04
IUPAC NameN-(1,3-thiazol-2-yldiazenyl)pyrazol-1-amine
SMILESc1cnn(NN=Nc2nccs2)c1
InChIInChI=1S/C6H6N6S/c1-2-8-12(4-1)11-10-9-6-7-3-5-13-6/h1-5H,(H,7,9,11)
InChIKeyFGSKDDBWZNLNND-UHFFFAOYSA-N
XLogP1.58
TPSA67.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.22
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-thiazol-2-yldiazenyl)pyrazol-1-amine?
The IUPAC name of N-(1,3-thiazol-2-yldiazenyl)pyrazol-1-amine (CID 90841824) is N-(1,3-thiazol-2-yldiazenyl)pyrazol-1-amine.
What is the SMILES notation for N-(1,3-thiazol-2-yldiazenyl)pyrazol-1-amine?
The canonical SMILES for N-(1,3-thiazol-2-yldiazenyl)pyrazol-1-amine is c1cnn(NN=Nc2nccs2)c1.
What is the InChIKey of N-(1,3-thiazol-2-yldiazenyl)pyrazol-1-amine?
The InChIKey is FGSKDDBWZNLNND-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N6S/c1-2-8-12(4-1)11-10-9-6-7-3-5-13-6/h1-5H,(H,7,9,11).
What are the key properties of N-(1,3-thiazol-2-yldiazenyl)pyrazol-1-amine?
N-(1,3-thiazol-2-yldiazenyl)pyrazol-1-amine has a molecular weight of 194.22 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-thiazol-2-yldiazenyl)pyrazol-1-amine is sourced from PubChem (CID 90841824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).