2-[(5-aminothiadiazol-4-yl)methylsulfanyl]-1H-pyrimidin-6-one

C7H7N5OS2 — CID 62188937

IUPAC2-[(5-aminothiadiazol-4-yl)methylsulfanyl]-1H-pyrimidin-6-one
SMILESNc1snnc1CSc1nccc(=O)[nH]1
InChIInChI=1S/C7H7N5OS2/c8-6-4(11-12-15-6)3-14-7-9-2-1-5(13)10-7/h1-2H,3,8H2,(H,9,10,13)
InChIKeyCYAVJOWDJGMXGZ-UHFFFAOYSA-N
MW241.30 g/mol
LogP0.50
Rot. Bonds3

About 2-[(5-aminothiadiazol-4-yl)methylsulfanyl]-1H-pyrimidin-6-one

2-[(5-aminothiadiazol-4-yl)methylsulfanyl]-1H-pyrimidin-6-one (PubChem CID 62188937) has the molecular formula C7H7N5OS2 and a molecular weight of 241.30 g/mol. Its IUPAC name is 2-[(5-aminothiadiazol-4-yl)methylsulfanyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(5-aminothiadiazol-4-yl)methylsulfanyl]-1H-pyrimidin-6-one
PubChem CID62188937
Molecular FormulaC7H7N5OS2
Molecular Weight241.30 g/mol
Exact Mass241.01
IUPAC Name2-[(5-aminothiadiazol-4-yl)methylsulfanyl]-1H-pyrimidin-6-one
SMILESNc1snnc1CSc1nccc(=O)[nH]1
InChIInChI=1S/C7H7N5OS2/c8-6-4(11-12-15-6)3-14-7-9-2-1-5(13)10-7/h1-2H,3,8H2,(H,9,10,13)
InChIKeyCYAVJOWDJGMXGZ-UHFFFAOYSA-N
XLogP0.50
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.30
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-aminothiadiazol-4-yl)methylsulfanyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-[(5-aminothiadiazol-4-yl)methylsulfanyl]-1H-pyrimidin-6-one (CID 62188937) is 2-[(5-aminothiadiazol-4-yl)methylsulfanyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(5-aminothiadiazol-4-yl)methylsulfanyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(5-aminothiadiazol-4-yl)methylsulfanyl]-1H-pyrimidin-6-one is Nc1snnc1CSc1nccc(=O)[nH]1.
What is the InChIKey of 2-[(5-aminothiadiazol-4-yl)methylsulfanyl]-1H-pyrimidin-6-one?
The InChIKey is CYAVJOWDJGMXGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N5OS2/c8-6-4(11-12-15-6)3-14-7-9-2-1-5(13)10-7/h1-2H,3,8H2,(H,9,10,13).
What are the key properties of 2-[(5-aminothiadiazol-4-yl)methylsulfanyl]-1H-pyrimidin-6-one?
2-[(5-aminothiadiazol-4-yl)methylsulfanyl]-1H-pyrimidin-6-one has a molecular weight of 241.30 g/mol, XLogP of 0.50, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-aminothiadiazol-4-yl)methylsulfanyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 62188937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).