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

C10H13N5OS2 — CID 135962106

IUPAC2-[[5-(ethylamino)thiadiazol-4-yl]methylsulfanyl]-4-methyl-1H-pyrimidin-6-one
SMILESCCNc1snnc1CSc1nc(C)cc(=O)[nH]1
InChIInChI=1S/C10H13N5OS2/c1-3-11-9-7(14-15-18-9)5-17-10-12-6(2)4-8(16)13-10/h4,11H,3,5H2,1-2H3,(H,12,13,16)
InChIKeyXLVIJEPUOZTUGF-UHFFFAOYSA-N
MW283.38 g/mol
LogP1.65
Rot. Bonds5

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

2-[[5-(ethylamino)thiadiazol-4-yl]methylsulfanyl]-4-methyl-1H-pyrimidin-6-one (PubChem CID 135962106) has the molecular formula C10H13N5OS2 and a molecular weight of 283.38 g/mol. Its IUPAC name is 2-[[5-(ethylamino)thiadiazol-4-yl]methylsulfanyl]-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[[5-(ethylamino)thiadiazol-4-yl]methylsulfanyl]-4-methyl-1H-pyrimidin-6-one
PubChem CID135962106
Molecular FormulaC10H13N5OS2
Molecular Weight283.38 g/mol
Exact Mass283.06
IUPAC Name2-[[5-(ethylamino)thiadiazol-4-yl]methylsulfanyl]-4-methyl-1H-pyrimidin-6-one
SMILESCCNc1snnc1CSc1nc(C)cc(=O)[nH]1
InChIInChI=1S/C10H13N5OS2/c1-3-11-9-7(14-15-18-9)5-17-10-12-6(2)4-8(16)13-10/h4,11H,3,5H2,1-2H3,(H,12,13,16)
InChIKeyXLVIJEPUOZTUGF-UHFFFAOYSA-N
XLogP1.65
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(ethylamino)thiadiazol-4-yl]methylsulfanyl]-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[[5-(ethylamino)thiadiazol-4-yl]methylsulfanyl]-4-methyl-1H-pyrimidin-6-one (CID 135962106) is 2-[[5-(ethylamino)thiadiazol-4-yl]methylsulfanyl]-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[[5-(ethylamino)thiadiazol-4-yl]methylsulfanyl]-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[[5-(ethylamino)thiadiazol-4-yl]methylsulfanyl]-4-methyl-1H-pyrimidin-6-one is CCNc1snnc1CSc1nc(C)cc(=O)[nH]1.
What is the InChIKey of 2-[[5-(ethylamino)thiadiazol-4-yl]methylsulfanyl]-4-methyl-1H-pyrimidin-6-one?
The InChIKey is XLVIJEPUOZTUGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5OS2/c1-3-11-9-7(14-15-18-9)5-17-10-12-6(2)4-8(16)13-10/h4,11H,3,5H2,1-2H3,(H,12,13,16).
What are the key properties of 2-[[5-(ethylamino)thiadiazol-4-yl]methylsulfanyl]-4-methyl-1H-pyrimidin-6-one?
2-[[5-(ethylamino)thiadiazol-4-yl]methylsulfanyl]-4-methyl-1H-pyrimidin-6-one has a molecular weight of 283.38 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(ethylamino)thiadiazol-4-yl]methylsulfanyl]-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135962106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).