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

C7H4FN3OS — CID 106521619

IUPAC5-(3-fluoro-4-pyridinyl)-3H-1,3,4-thiadiazol-2-one
SMILESO=c1[nH]nc(-c2ccncc2F)s1
InChIInChI=1S/C7H4FN3OS/c8-5-3-9-2-1-4(5)6-10-11-7(12)13-6/h1-3H,(H,11,12)
InChIKeyCOIFWEXFMAZCTM-UHFFFAOYSA-N
MW197.19 g/mol
LogP1.03
Rot. Bonds1

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

5-(3-fluoro-4-pyridinyl)-3H-1,3,4-thiadiazol-2-one (PubChem CID 106521619) has the molecular formula C7H4FN3OS and a molecular weight of 197.19 g/mol. Its IUPAC name is 5-(3-fluoro-4-pyridinyl)-3H-1,3,4-thiadiazol-2-one.

Molecular Properties

Compound Name5-(3-fluoro-4-pyridinyl)-3H-1,3,4-thiadiazol-2-one
PubChem CID106521619
Molecular FormulaC7H4FN3OS
Molecular Weight197.19 g/mol
Exact Mass197.01
IUPAC Name5-(3-fluoro-4-pyridinyl)-3H-1,3,4-thiadiazol-2-one
SMILESO=c1[nH]nc(-c2ccncc2F)s1
InChIInChI=1S/C7H4FN3OS/c8-5-3-9-2-1-4(5)6-10-11-7(12)13-6/h1-3H,(H,11,12)
InChIKeyCOIFWEXFMAZCTM-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

2-(3-fluoro-4-pyridinyl)-1,3-benzothiazole
CID 118450393
3-fluoro-4-(4-fluorophenyl)pyridine
CID 46312739
4-bromo-2-(3-fluoro-4-pyridinyl)-1,3-thiazole
CID 104739144
3-amino-5-(3-fluoro-4-pyridinyl)thiophene-2-carboxamide
CID 156700058
4-tert-butyl-2-(3-fluoro-4-pyridinyl)-1,3-thiazole-5-carboxylic acid
CID 114359390
5-(5-hydroxy-2-pyridinyl)-3H-1,3,4-thiadiazol-2-one
CID 137315883
4-amino-3-(3-fluoro-4-pyridinyl)-1H-1,2,4-triazole-5-thione
CID 64950878
5-(3-fluoro-4-pyridinyl)-4-pyridin-2-yl-1H-pyrazol-3-amine
CID 80521210
2-(chloromethyl)-4-(3-fluoro-4-pyridinyl)-1H-pyrimidin-6-one
CID 136658243
5-(6-iodo-3-pyridinyl)-3H-1,3,4-thiadiazol-2-one
CID 135394491
5-[3,4-difluoro-2-(4-iodo-2-methylanilino)phenyl]-3H-1,3,4-thiadiazol-2-one
CID 18614560
4-(2-bromophenyl)-2-(3-fluoro-4-pyridinyl)-5-methyl-1,3-thiazole
CID 114289439

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoro-4-pyridinyl)-3H-1,3,4-thiadiazol-2-one?
The IUPAC name of 5-(3-fluoro-4-pyridinyl)-3H-1,3,4-thiadiazol-2-one (CID 106521619) is 5-(3-fluoro-4-pyridinyl)-3H-1,3,4-thiadiazol-2-one.
What is the SMILES notation for 5-(3-fluoro-4-pyridinyl)-3H-1,3,4-thiadiazol-2-one?
The canonical SMILES for 5-(3-fluoro-4-pyridinyl)-3H-1,3,4-thiadiazol-2-one is O=c1[nH]nc(-c2ccncc2F)s1.
What is the InChIKey of 5-(3-fluoro-4-pyridinyl)-3H-1,3,4-thiadiazol-2-one?
The InChIKey is COIFWEXFMAZCTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4FN3OS/c8-5-3-9-2-1-4(5)6-10-11-7(12)13-6/h1-3H,(H,11,12).
What are the key properties of 5-(3-fluoro-4-pyridinyl)-3H-1,3,4-thiadiazol-2-one?
5-(3-fluoro-4-pyridinyl)-3H-1,3,4-thiadiazol-2-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 5-(3-fluoro-4-pyridinyl)-3H-1,3,4-thiadiazol-2-one is sourced from PubChem (CID 106521619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).