3-(5-amino-1,3,4-thiadiazol-2-yl)-6-(4-fluorophenyl)-1-methylpyridin-2-one

C14H11FN4OS — CID 82519637

IUPAC3-(5-amino-1,3,4-thiadiazol-2-yl)-6-(4-fluorophenyl)-1-methylpyridin-2-one
SMILESCn1c(-c2ccc(F)cc2)ccc(-c2nnc(N)s2)c1=O
InChIInChI=1S/C14H11FN4OS/c1-19-11(8-2-4-9(15)5-3-8)7-6-10(13(19)20)12-17-18-14(16)21-12/h2-7H,1H3,(H2,16,18)
InChIKeyCLMDMBLSZIOKLZ-UHFFFAOYSA-N
MW302.33 g/mol
LogP2.29
Rot. Bonds2

About 3-(5-amino-1,3,4-thiadiazol-2-yl)-6-(4-fluorophenyl)-1-methylpyridin-2-one

3-(5-amino-1,3,4-thiadiazol-2-yl)-6-(4-fluorophenyl)-1-methylpyridin-2-one (PubChem CID 82519637) has the molecular formula C14H11FN4OS and a molecular weight of 302.33 g/mol. Its IUPAC name is 3-(5-amino-1,3,4-thiadiazol-2-yl)-6-(4-fluorophenyl)-1-methylpyridin-2-one.

Molecular Properties

Compound Name3-(5-amino-1,3,4-thiadiazol-2-yl)-6-(4-fluorophenyl)-1-methylpyridin-2-one
PubChem CID82519637
Molecular FormulaC14H11FN4OS
Molecular Weight302.33 g/mol
Exact Mass302.06
IUPAC Name3-(5-amino-1,3,4-thiadiazol-2-yl)-6-(4-fluorophenyl)-1-methylpyridin-2-one
SMILESCn1c(-c2ccc(F)cc2)ccc(-c2nnc(N)s2)c1=O
InChIInChI=1S/C14H11FN4OS/c1-19-11(8-2-4-9(15)5-3-8)7-6-10(13(19)20)12-17-18-14(16)21-12/h2-7H,1H3,(H2,16,18)
InChIKeyCLMDMBLSZIOKLZ-UHFFFAOYSA-N
XLogP2.29
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(5-amino-1,3,4-thiadiazol-2-yl)-6-(4-fluorophenyl)-1-methylpyridin-2-one?
The IUPAC name of 3-(5-amino-1,3,4-thiadiazol-2-yl)-6-(4-fluorophenyl)-1-methylpyridin-2-one (CID 82519637) is 3-(5-amino-1,3,4-thiadiazol-2-yl)-6-(4-fluorophenyl)-1-methylpyridin-2-one.
What is the SMILES notation for 3-(5-amino-1,3,4-thiadiazol-2-yl)-6-(4-fluorophenyl)-1-methylpyridin-2-one?
The canonical SMILES for 3-(5-amino-1,3,4-thiadiazol-2-yl)-6-(4-fluorophenyl)-1-methylpyridin-2-one is Cn1c(-c2ccc(F)cc2)ccc(-c2nnc(N)s2)c1=O.
What is the InChIKey of 3-(5-amino-1,3,4-thiadiazol-2-yl)-6-(4-fluorophenyl)-1-methylpyridin-2-one?
The InChIKey is CLMDMBLSZIOKLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN4OS/c1-19-11(8-2-4-9(15)5-3-8)7-6-10(13(19)20)12-17-18-14(16)21-12/h2-7H,1H3,(H2,16,18).
What are the key properties of 3-(5-amino-1,3,4-thiadiazol-2-yl)-6-(4-fluorophenyl)-1-methylpyridin-2-one?
3-(5-amino-1,3,4-thiadiazol-2-yl)-6-(4-fluorophenyl)-1-methylpyridin-2-one has a molecular weight of 302.33 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-amino-1,3,4-thiadiazol-2-yl)-6-(4-fluorophenyl)-1-methylpyridin-2-one is sourced from PubChem (CID 82519637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).