1-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]-5-fluoropyridin-2-one

C10H11FN4OS — CID 91651677

IUPAC1-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]-5-fluoropyridin-2-one
SMILESCN(C)c1nc(Cn2cc(F)ccc2=O)ns1
InChIInChI=1S/C10H11FN4OS/c1-14(2)10-12-8(13-17-10)6-15-5-7(11)3-4-9(15)16/h3-5H,6H2,1-2H3
InChIKeyAMVVYISGCIGJRL-UHFFFAOYSA-N
MW254.29 g/mol
LogP0.95
Rot. Bonds3

About 1-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]-5-fluoropyridin-2-one

1-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]-5-fluoropyridin-2-one (PubChem CID 91651677) has the molecular formula C10H11FN4OS and a molecular weight of 254.29 g/mol. Its IUPAC name is 1-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]-5-fluoropyridin-2-one.

Molecular Properties

Compound Name1-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]-5-fluoropyridin-2-one
PubChem CID91651677
Molecular FormulaC10H11FN4OS
Molecular Weight254.29 g/mol
Exact Mass254.06
IUPAC Name1-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]-5-fluoropyridin-2-one
SMILESCN(C)c1nc(Cn2cc(F)ccc2=O)ns1
InChIInChI=1S/C10H11FN4OS/c1-14(2)10-12-8(13-17-10)6-15-5-7(11)3-4-9(15)16/h3-5H,6H2,1-2H3
InChIKeyAMVVYISGCIGJRL-UHFFFAOYSA-N
XLogP0.95
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]-5-fluoropyridin-2-one?
The IUPAC name of 1-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]-5-fluoropyridin-2-one (CID 91651677) is 1-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]-5-fluoropyridin-2-one.
What is the SMILES notation for 1-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]-5-fluoropyridin-2-one?
The canonical SMILES for 1-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]-5-fluoropyridin-2-one is CN(C)c1nc(Cn2cc(F)ccc2=O)ns1.
What is the InChIKey of 1-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]-5-fluoropyridin-2-one?
The InChIKey is AMVVYISGCIGJRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN4OS/c1-14(2)10-12-8(13-17-10)6-15-5-7(11)3-4-9(15)16/h3-5H,6H2,1-2H3.
What are the key properties of 1-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]-5-fluoropyridin-2-one?
1-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]-5-fluoropyridin-2-one has a molecular weight of 254.29 g/mol, XLogP of 0.95, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]-5-fluoropyridin-2-one is sourced from PubChem (CID 91651677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).