5-pyrazol-1-yl-1,3,4-thiadiazol-2-amine

C5H5N5S — CID 171818871

IUPAC5-pyrazol-1-yl-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(-n2cccn2)s1
InChIInChI=1S/C5H5N5S/c6-4-8-9-5(11-4)10-3-1-2-7-10/h1-3H,(H2,6,8)
InChIKeyPZUPNFOMCXKWAF-UHFFFAOYSA-N
MW167.20 g/mol
LogP0.31
Rot. Bonds1

About 5-pyrazol-1-yl-1,3,4-thiadiazol-2-amine

5-pyrazol-1-yl-1,3,4-thiadiazol-2-amine (PubChem CID 171818871) has the molecular formula C5H5N5S and a molecular weight of 167.20 g/mol. Its IUPAC name is 5-pyrazol-1-yl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-pyrazol-1-yl-1,3,4-thiadiazol-2-amine
PubChem CID171818871
Molecular FormulaC5H5N5S
Molecular Weight167.20 g/mol
Exact Mass167.03
IUPAC Name5-pyrazol-1-yl-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(-n2cccn2)s1
InChIInChI=1S/C5H5N5S/c6-4-8-9-5(11-4)10-3-1-2-7-10/h1-3H,(H2,6,8)
InChIKeyPZUPNFOMCXKWAF-UHFFFAOYSA-N
XLogP0.31
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.20
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-pyrazol-1-yl-1,3,4-thiadiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-pyrazol-1-yl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-pyrazol-1-yl-1,3,4-thiadiazol-2-amine (CID 171818871) is 5-pyrazol-1-yl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-pyrazol-1-yl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-pyrazol-1-yl-1,3,4-thiadiazol-2-amine is Nc1nnc(-n2cccn2)s1.
What is the InChIKey of 5-pyrazol-1-yl-1,3,4-thiadiazol-2-amine?
The InChIKey is PZUPNFOMCXKWAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N5S/c6-4-8-9-5(11-4)10-3-1-2-7-10/h1-3H,(H2,6,8).
What are the key properties of 5-pyrazol-1-yl-1,3,4-thiadiazol-2-amine?
5-pyrazol-1-yl-1,3,4-thiadiazol-2-amine has a molecular weight of 167.20 g/mol, XLogP of 0.31, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyrazol-1-yl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 171818871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).