1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-5-methylpyrimidine-2,4-dione

C8H9N5O2S — CID 80608741

IUPAC1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn(Cc2nnc(N)s2)c(=O)[nH]c1=O
InChIInChI=1S/C8H9N5O2S/c1-4-2-13(8(15)10-6(4)14)3-5-11-12-7(9)16-5/h2H,3H2,1H3,(H2,9,12)(H,10,14,15)
InChIKeyFQFNIBIFYWNJSG-UHFFFAOYSA-N
MW239.26 g/mol
LogP-0.67
Rot. Bonds2

About 1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-5-methylpyrimidine-2,4-dione

1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-5-methylpyrimidine-2,4-dione (PubChem CID 80608741) has the molecular formula C8H9N5O2S and a molecular weight of 239.26 g/mol. Its IUPAC name is 1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-5-methylpyrimidine-2,4-dione
PubChem CID80608741
Molecular FormulaC8H9N5O2S
Molecular Weight239.26 g/mol
Exact Mass239.05
IUPAC Name1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn(Cc2nnc(N)s2)c(=O)[nH]c1=O
InChIInChI=1S/C8H9N5O2S/c1-4-2-13(8(15)10-6(4)14)3-5-11-12-7(9)16-5/h2H,3H2,1H3,(H2,9,12)(H,10,14,15)
InChIKeyFQFNIBIFYWNJSG-UHFFFAOYSA-N
XLogP-0.67
TPSA106.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.26
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-5-methylpyrimidine-2,4-dione (CID 80608741) is 1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-5-methylpyrimidine-2,4-dione is Cc1cn(Cc2nnc(N)s2)c(=O)[nH]c1=O.
What is the InChIKey of 1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-5-methylpyrimidine-2,4-dione?
The InChIKey is FQFNIBIFYWNJSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5O2S/c1-4-2-13(8(15)10-6(4)14)3-5-11-12-7(9)16-5/h2H,3H2,1H3,(H2,9,12)(H,10,14,15).
What are the key properties of 1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-5-methylpyrimidine-2,4-dione?
1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-5-methylpyrimidine-2,4-dione has a molecular weight of 239.26 g/mol, XLogP of -0.67, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 80608741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).