5-(3-chloro-5-fluorophenyl)-3H-1,3,4-thiadiazol-2-one

C8H4ClFN2OS — CID 106521110

IUPAC5-(3-chloro-5-fluorophenyl)-3H-1,3,4-thiadiazol-2-one
SMILESO=c1[nH]nc(-c2cc(F)cc(Cl)c2)s1
InChIInChI=1S/C8H4ClFN2OS/c9-5-1-4(2-6(10)3-5)7-11-12-8(13)14-7/h1-3H,(H,12,13)
InChIKeyFWDJAXYDKKSYOS-UHFFFAOYSA-N
MW230.65 g/mol
LogP2.29
Rot. Bonds1

About 5-(3-chloro-5-fluorophenyl)-3H-1,3,4-thiadiazol-2-one

5-(3-chloro-5-fluorophenyl)-3H-1,3,4-thiadiazol-2-one (PubChem CID 106521110) has the molecular formula C8H4ClFN2OS and a molecular weight of 230.65 g/mol. Its IUPAC name is 5-(3-chloro-5-fluorophenyl)-3H-1,3,4-thiadiazol-2-one.

Molecular Properties

Compound Name5-(3-chloro-5-fluorophenyl)-3H-1,3,4-thiadiazol-2-one
PubChem CID106521110
Molecular FormulaC8H4ClFN2OS
Molecular Weight230.65 g/mol
Exact Mass229.97
IUPAC Name5-(3-chloro-5-fluorophenyl)-3H-1,3,4-thiadiazol-2-one
SMILESO=c1[nH]nc(-c2cc(F)cc(Cl)c2)s1
InChIInChI=1S/C8H4ClFN2OS/c9-5-1-4(2-6(10)3-5)7-11-12-8(13)14-7/h1-3H,(H,12,13)
InChIKeyFWDJAXYDKKSYOS-UHFFFAOYSA-N
XLogP2.29
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.65
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-5-fluorophenyl)-3H-1,3,4-thiadiazol-2-one?
The IUPAC name of 5-(3-chloro-5-fluorophenyl)-3H-1,3,4-thiadiazol-2-one (CID 106521110) is 5-(3-chloro-5-fluorophenyl)-3H-1,3,4-thiadiazol-2-one.
What is the SMILES notation for 5-(3-chloro-5-fluorophenyl)-3H-1,3,4-thiadiazol-2-one?
The canonical SMILES for 5-(3-chloro-5-fluorophenyl)-3H-1,3,4-thiadiazol-2-one is O=c1[nH]nc(-c2cc(F)cc(Cl)c2)s1.
What is the InChIKey of 5-(3-chloro-5-fluorophenyl)-3H-1,3,4-thiadiazol-2-one?
The InChIKey is FWDJAXYDKKSYOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClFN2OS/c9-5-1-4(2-6(10)3-5)7-11-12-8(13)14-7/h1-3H,(H,12,13).
What are the key properties of 5-(3-chloro-5-fluorophenyl)-3H-1,3,4-thiadiazol-2-one?
5-(3-chloro-5-fluorophenyl)-3H-1,3,4-thiadiazol-2-one has a molecular weight of 230.65 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-5-fluorophenyl)-3H-1,3,4-thiadiazol-2-one is sourced from PubChem (CID 106521110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).