3-(5-fluoro-3-pyridinyl)-4H-1,2,4-thiadiazol-5-one

C7H4FN3OS — CID 136639651

IUPAC3-(5-fluoro-3-pyridinyl)-4H-1,2,4-thiadiazol-5-one
SMILESO=c1[nH]c(-c2cncc(F)c2)ns1
InChIInChI=1S/C7H4FN3OS/c8-5-1-4(2-9-3-5)6-10-7(12)13-11-6/h1-3H,(H,10,11,12)
InChIKeyXMTBSFCDYJZLGO-UHFFFAOYSA-N
MW197.19 g/mol
LogP1.03
Rot. Bonds1

About 3-(5-fluoro-3-pyridinyl)-4H-1,2,4-thiadiazol-5-one

3-(5-fluoro-3-pyridinyl)-4H-1,2,4-thiadiazol-5-one (PubChem CID 136639651) has the molecular formula C7H4FN3OS and a molecular weight of 197.19 g/mol. Its IUPAC name is 3-(5-fluoro-3-pyridinyl)-4H-1,2,4-thiadiazol-5-one.

Molecular Properties

Compound Name3-(5-fluoro-3-pyridinyl)-4H-1,2,4-thiadiazol-5-one
PubChem CID136639651
Molecular FormulaC7H4FN3OS
Molecular Weight197.19 g/mol
Exact Mass197.01
IUPAC Name3-(5-fluoro-3-pyridinyl)-4H-1,2,4-thiadiazol-5-one
SMILESO=c1[nH]c(-c2cncc(F)c2)ns1
InChIInChI=1S/C7H4FN3OS/c8-5-1-4(2-9-3-5)6-10-7(12)13-11-6/h1-3H,(H,10,11,12)
InChIKeyXMTBSFCDYJZLGO-UHFFFAOYSA-N
XLogP1.03
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-chloro-3-pyridinyl)-4H-1,2,4-thiadiazol-5-one
CID 136639649
4-(5-fluoro-3-pyridinyl)-2,5-dimethyl-1H-pyrimidin-6-one
CID 136692266
3-(5-fluoro-3-pyridinyl)-1H-pyridazin-6-one
CID 106515794
4-(5-fluoro-3-pyridinyl)-2-phenyl-1H-pyrimidin-6-one
CID 136692272
6-(5-fluoro-3-pyridinyl)-4-(trifluoromethyl)-1H-pyridin-2-one
CID 106515766
4-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136802824
2-(5-fluoro-3-pyridinyl)-8-morpholin-4-yl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one
CID 146485215
3-(5-fluoro-3-pyridinyl)-4,5-dimethyl-1H-pyridazin-6-one
CID 106515803
2-(5-fluoro-3-pyridinyl)-1H-imidazo[4,5-b]pyridine
CID 104786090
6-chloro-2-(5-fluoro-3-pyridinyl)-1H-benzimidazole
CID 104786095
2-(5-fluoro-3-pyridinyl)-1H-benzimidazole-4-carboxylic acid
CID 113452902
5-fluoro-6-(5-fluoro-3-pyridinyl)-1H-pyrimidine-2-thione
CID 106515789

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-3-pyridinyl)-4H-1,2,4-thiadiazol-5-one?
The IUPAC name of 3-(5-fluoro-3-pyridinyl)-4H-1,2,4-thiadiazol-5-one (CID 136639651) is 3-(5-fluoro-3-pyridinyl)-4H-1,2,4-thiadiazol-5-one.
What is the SMILES notation for 3-(5-fluoro-3-pyridinyl)-4H-1,2,4-thiadiazol-5-one?
The canonical SMILES for 3-(5-fluoro-3-pyridinyl)-4H-1,2,4-thiadiazol-5-one is O=c1[nH]c(-c2cncc(F)c2)ns1.
What is the InChIKey of 3-(5-fluoro-3-pyridinyl)-4H-1,2,4-thiadiazol-5-one?
The InChIKey is XMTBSFCDYJZLGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4FN3OS/c8-5-1-4(2-9-3-5)6-10-7(12)13-11-6/h1-3H,(H,10,11,12).
What are the key properties of 3-(5-fluoro-3-pyridinyl)-4H-1,2,4-thiadiazol-5-one?
3-(5-fluoro-3-pyridinyl)-4H-1,2,4-thiadiazol-5-one has a molecular weight of 197.19 g/mol, XLogP of 1.03, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-3-pyridinyl)-4H-1,2,4-thiadiazol-5-one is sourced from PubChem (CID 136639651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).