5-(5-hydroxy-2-pyridinyl)-3H-1,3,4-thiadiazol-2-one

C7H5N3O2S — CID 137315883

IUPAC5-(5-hydroxy-2-pyridinyl)-3H-1,3,4-thiadiazol-2-one
SMILESO=c1[nH]nc(-c2ccc(O)cn2)s1
InChIInChI=1S/C7H5N3O2S/c11-4-1-2-5(8-3-4)6-9-10-7(12)13-6/h1-3,11H,(H,10,12)
InChIKeyMCSSZQJIJGLNGA-UHFFFAOYSA-N
MW195.20 g/mol
LogP0.60
Rot. Bonds1

About 5-(5-hydroxy-2-pyridinyl)-3H-1,3,4-thiadiazol-2-one

5-(5-hydroxy-2-pyridinyl)-3H-1,3,4-thiadiazol-2-one (PubChem CID 137315883) has the molecular formula C7H5N3O2S and a molecular weight of 195.20 g/mol. Its IUPAC name is 5-(5-hydroxy-2-pyridinyl)-3H-1,3,4-thiadiazol-2-one.

Molecular Properties

Compound Name5-(5-hydroxy-2-pyridinyl)-3H-1,3,4-thiadiazol-2-one
PubChem CID137315883
Molecular FormulaC7H5N3O2S
Molecular Weight195.20 g/mol
Exact Mass195.01
IUPAC Name5-(5-hydroxy-2-pyridinyl)-3H-1,3,4-thiadiazol-2-one
SMILESO=c1[nH]nc(-c2ccc(O)cn2)s1
InChIInChI=1S/C7H5N3O2S/c11-4-1-2-5(8-3-4)6-9-10-7(12)13-6/h1-3,11H,(H,10,12)
InChIKeyMCSSZQJIJGLNGA-UHFFFAOYSA-N
XLogP0.60
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.20
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(5-hydroxy-2-pyridinyl)-3H-1,3,4-thiadiazol-2-one?
The IUPAC name of 5-(5-hydroxy-2-pyridinyl)-3H-1,3,4-thiadiazol-2-one (CID 137315883) is 5-(5-hydroxy-2-pyridinyl)-3H-1,3,4-thiadiazol-2-one.
What is the SMILES notation for 5-(5-hydroxy-2-pyridinyl)-3H-1,3,4-thiadiazol-2-one?
The canonical SMILES for 5-(5-hydroxy-2-pyridinyl)-3H-1,3,4-thiadiazol-2-one is O=c1[nH]nc(-c2ccc(O)cn2)s1.
What is the InChIKey of 5-(5-hydroxy-2-pyridinyl)-3H-1,3,4-thiadiazol-2-one?
The InChIKey is MCSSZQJIJGLNGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N3O2S/c11-4-1-2-5(8-3-4)6-9-10-7(12)13-6/h1-3,11H,(H,10,12).
What are the key properties of 5-(5-hydroxy-2-pyridinyl)-3H-1,3,4-thiadiazol-2-one?
5-(5-hydroxy-2-pyridinyl)-3H-1,3,4-thiadiazol-2-one has a molecular weight of 195.20 g/mol, XLogP of 0.60, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-hydroxy-2-pyridinyl)-3H-1,3,4-thiadiazol-2-one is sourced from PubChem (CID 137315883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).