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

C5H5N5S — CID 63080140

IUPAC5-(1H-pyrazol-5-yl)-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(-c2ccn[nH]2)s1
InChIInChI=1S/C5H5N5S/c6-5-10-9-4(11-5)3-1-2-7-8-3/h1-2H,(H2,6,10)(H,7,8)
InChIKeyPKGVKGYNVCCZFL-UHFFFAOYSA-N
MW167.20 g/mol
LogP0.51
Rot. Bonds1

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

5-(1H-pyrazol-5-yl)-1,3,4-thiadiazol-2-amine (PubChem CID 63080140) has the molecular formula C5H5N5S and a molecular weight of 167.20 g/mol. Its IUPAC name is 5-(1H-pyrazol-5-yl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(1H-pyrazol-5-yl)-1,3,4-thiadiazol-2-amine
PubChem CID63080140
Molecular FormulaC5H5N5S
Molecular Weight167.20 g/mol
Exact Mass167.03
IUPAC Name5-(1H-pyrazol-5-yl)-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(-c2ccn[nH]2)s1
InChIInChI=1S/C5H5N5S/c6-5-10-9-4(11-5)3-1-2-7-8-3/h1-2H,(H2,6,10)(H,7,8)
InChIKeyPKGVKGYNVCCZFL-UHFFFAOYSA-N
XLogP0.51
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.20
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(1H-pyrazol-5-yl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(1H-pyrazol-5-yl)-1,3,4-thiadiazol-2-amine (CID 63080140) is 5-(1H-pyrazol-5-yl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(1H-pyrazol-5-yl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(1H-pyrazol-5-yl)-1,3,4-thiadiazol-2-amine is Nc1nnc(-c2ccn[nH]2)s1.
What is the InChIKey of 5-(1H-pyrazol-5-yl)-1,3,4-thiadiazol-2-amine?
The InChIKey is PKGVKGYNVCCZFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N5S/c6-5-10-9-4(11-5)3-1-2-7-8-3/h1-2H,(H2,6,10)(H,7,8).
What are the key properties of 5-(1H-pyrazol-5-yl)-1,3,4-thiadiazol-2-amine?
5-(1H-pyrazol-5-yl)-1,3,4-thiadiazol-2-amine has a molecular weight of 167.20 g/mol, XLogP of 0.51, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-pyrazol-5-yl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 63080140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).