1-fluoropyrimidine-2,4-dione;1,3,4-thiadiazole

C6H5FN4O2S — CID 174611208

IUPAC1-fluoropyrimidine-2,4-dione;1,3,4-thiadiazole
SMILESO=c1ccn(F)c(=O)[nH]1.c1nncs1
InChIInChI=1S/C4H3FN2O2.C2H2N2S/c5-7-2-1-3(8)6-4(7)9;1-3-4-2-5-1/h1-2H,(H,6,8,9);1-2H
InChIKeyYWJQZBHEBZCJJX-UHFFFAOYSA-N
MW216.20 g/mol
LogP-0.19
Rot. Bonds

About 1-fluoropyrimidine-2,4-dione;1,3,4-thiadiazole

1-fluoropyrimidine-2,4-dione;1,3,4-thiadiazole (PubChem CID 174611208) has the molecular formula C6H5FN4O2S and a molecular weight of 216.20 g/mol. Its IUPAC name is 1-fluoropyrimidine-2,4-dione;1,3,4-thiadiazole.

Molecular Properties

Compound Name1-fluoropyrimidine-2,4-dione;1,3,4-thiadiazole
PubChem CID174611208
Molecular FormulaC6H5FN4O2S
Molecular Weight216.20 g/mol
Exact Mass216.01
IUPAC Name1-fluoropyrimidine-2,4-dione;1,3,4-thiadiazole
SMILESO=c1ccn(F)c(=O)[nH]1.c1nncs1
InChIInChI=1S/C4H3FN2O2.C2H2N2S/c5-7-2-1-3(8)6-4(7)9;1-3-4-2-5-1/h1-2H,(H,6,8,9);1-2H
InChIKeyYWJQZBHEBZCJJX-UHFFFAOYSA-N
XLogP-0.19
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.20
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-fluoropyrimidine-2,4-dione;1,3,4-thiadiazole?
The IUPAC name of 1-fluoropyrimidine-2,4-dione;1,3,4-thiadiazole (CID 174611208) is 1-fluoropyrimidine-2,4-dione;1,3,4-thiadiazole.
What is the SMILES notation for 1-fluoropyrimidine-2,4-dione;1,3,4-thiadiazole?
The canonical SMILES for 1-fluoropyrimidine-2,4-dione;1,3,4-thiadiazole is O=c1ccn(F)c(=O)[nH]1.c1nncs1.
What is the InChIKey of 1-fluoropyrimidine-2,4-dione;1,3,4-thiadiazole?
The InChIKey is YWJQZBHEBZCJJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3FN2O2.C2H2N2S/c5-7-2-1-3(8)6-4(7)9;1-3-4-2-5-1/h1-2H,(H,6,8,9);1-2H.
What are the key properties of 1-fluoropyrimidine-2,4-dione;1,3,4-thiadiazole?
1-fluoropyrimidine-2,4-dione;1,3,4-thiadiazole has a molecular weight of 216.20 g/mol, XLogP of -0.19, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoropyrimidine-2,4-dione;1,3,4-thiadiazole is sourced from PubChem (CID 174611208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).