1-[(5-chlorothiadiazol-4-yl)methyl]-5-fluoropyrimidine-2,4-dione

C7H4ClFN4O2S — CID 63557984

IUPAC1-[(5-chlorothiadiazol-4-yl)methyl]-5-fluoropyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(Cc2nnsc2Cl)cc1F
InChIInChI=1S/C7H4ClFN4O2S/c8-5-4(11-12-16-5)2-13-1-3(9)6(14)10-7(13)15/h1H,2H2,(H,10,14,15)
InChIKeySWGUYOSNJNBNIH-UHFFFAOYSA-N
MW262.65 g/mol
LogP0.23
Rot. Bonds2

About 1-[(5-chlorothiadiazol-4-yl)methyl]-5-fluoropyrimidine-2,4-dione

1-[(5-chlorothiadiazol-4-yl)methyl]-5-fluoropyrimidine-2,4-dione (PubChem CID 63557984) has the molecular formula C7H4ClFN4O2S and a molecular weight of 262.65 g/mol. Its IUPAC name is 1-[(5-chlorothiadiazol-4-yl)methyl]-5-fluoropyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(5-chlorothiadiazol-4-yl)methyl]-5-fluoropyrimidine-2,4-dione
PubChem CID63557984
Molecular FormulaC7H4ClFN4O2S
Molecular Weight262.65 g/mol
Exact Mass261.97
IUPAC Name1-[(5-chlorothiadiazol-4-yl)methyl]-5-fluoropyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(Cc2nnsc2Cl)cc1F
InChIInChI=1S/C7H4ClFN4O2S/c8-5-4(11-12-16-5)2-13-1-3(9)6(14)10-7(13)15/h1H,2H2,(H,10,14,15)
InChIKeySWGUYOSNJNBNIH-UHFFFAOYSA-N
XLogP0.23
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.65
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-chlorothiadiazol-4-yl)methyl]-5-fluoropyrimidine-2,4-dione?
The IUPAC name of 1-[(5-chlorothiadiazol-4-yl)methyl]-5-fluoropyrimidine-2,4-dione (CID 63557984) is 1-[(5-chlorothiadiazol-4-yl)methyl]-5-fluoropyrimidine-2,4-dione.
What is the SMILES notation for 1-[(5-chlorothiadiazol-4-yl)methyl]-5-fluoropyrimidine-2,4-dione?
The canonical SMILES for 1-[(5-chlorothiadiazol-4-yl)methyl]-5-fluoropyrimidine-2,4-dione is O=c1[nH]c(=O)n(Cc2nnsc2Cl)cc1F.
What is the InChIKey of 1-[(5-chlorothiadiazol-4-yl)methyl]-5-fluoropyrimidine-2,4-dione?
The InChIKey is SWGUYOSNJNBNIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClFN4O2S/c8-5-4(11-12-16-5)2-13-1-3(9)6(14)10-7(13)15/h1H,2H2,(H,10,14,15).
What are the key properties of 1-[(5-chlorothiadiazol-4-yl)methyl]-5-fluoropyrimidine-2,4-dione?
1-[(5-chlorothiadiazol-4-yl)methyl]-5-fluoropyrimidine-2,4-dione has a molecular weight of 262.65 g/mol, XLogP of 0.23, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chlorothiadiazol-4-yl)methyl]-5-fluoropyrimidine-2,4-dione is sourced from PubChem (CID 63557984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).