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

C8H9N5OS2 — CID 62189468

IUPAC2-[[5-(methylamino)thiadiazol-4-yl]methylsulfanyl]-1H-pyrimidin-6-one
SMILESCNc1snnc1CSc1nccc(=O)[nH]1
InChIInChI=1S/C8H9N5OS2/c1-9-7-5(12-13-16-7)4-15-8-10-3-2-6(14)11-8/h2-3,9H,4H2,1H3,(H,10,11,14)
InChIKeyVFNZISZZGXWXDX-UHFFFAOYSA-N
MW255.33 g/mol
LogP0.96
Rot. Bonds4

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

2-[[5-(methylamino)thiadiazol-4-yl]methylsulfanyl]-1H-pyrimidin-6-one (PubChem CID 62189468) has the molecular formula C8H9N5OS2 and a molecular weight of 255.33 g/mol. Its IUPAC name is 2-[[5-(methylamino)thiadiazol-4-yl]methylsulfanyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[[5-(methylamino)thiadiazol-4-yl]methylsulfanyl]-1H-pyrimidin-6-one
PubChem CID62189468
Molecular FormulaC8H9N5OS2
Molecular Weight255.33 g/mol
Exact Mass255.02
IUPAC Name2-[[5-(methylamino)thiadiazol-4-yl]methylsulfanyl]-1H-pyrimidin-6-one
SMILESCNc1snnc1CSc1nccc(=O)[nH]1
InChIInChI=1S/C8H9N5OS2/c1-9-7-5(12-13-16-7)4-15-8-10-3-2-6(14)11-8/h2-3,9H,4H2,1H3,(H,10,11,14)
InChIKeyVFNZISZZGXWXDX-UHFFFAOYSA-N
XLogP0.96
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.33
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(methylamino)thiadiazol-4-yl]methylsulfanyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-[[5-(methylamino)thiadiazol-4-yl]methylsulfanyl]-1H-pyrimidin-6-one (CID 62189468) is 2-[[5-(methylamino)thiadiazol-4-yl]methylsulfanyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[[5-(methylamino)thiadiazol-4-yl]methylsulfanyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-[[5-(methylamino)thiadiazol-4-yl]methylsulfanyl]-1H-pyrimidin-6-one is CNc1snnc1CSc1nccc(=O)[nH]1.
What is the InChIKey of 2-[[5-(methylamino)thiadiazol-4-yl]methylsulfanyl]-1H-pyrimidin-6-one?
The InChIKey is VFNZISZZGXWXDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5OS2/c1-9-7-5(12-13-16-7)4-15-8-10-3-2-6(14)11-8/h2-3,9H,4H2,1H3,(H,10,11,14).
What are the key properties of 2-[[5-(methylamino)thiadiazol-4-yl]methylsulfanyl]-1H-pyrimidin-6-one?
2-[[5-(methylamino)thiadiazol-4-yl]methylsulfanyl]-1H-pyrimidin-6-one has a molecular weight of 255.33 g/mol, XLogP of 0.96, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(methylamino)thiadiazol-4-yl]methylsulfanyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 62189468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).