5-chloro-3-[(3,4-difluorophenyl)methylsulfanyl]-1,2,4-thiadiazole

C9H5ClF2N2S2 — CID 75360640

IUPAC5-chloro-3-[(3,4-difluorophenyl)methylsulfanyl]-1,2,4-thiadiazole
SMILESFc1ccc(CSc2nsc(Cl)n2)cc1F
InChIInChI=1S/C9H5ClF2N2S2/c10-8-13-9(14-16-8)15-4-5-1-2-6(11)7(12)3-5/h1-3H,4H2
InChIKeyAWRGVIDEYKGJPJ-UHFFFAOYSA-N
MW278.74 g/mol
LogP3.76
Rot. Bonds3

About 5-chloro-3-[(3,4-difluorophenyl)methylsulfanyl]-1,2,4-thiadiazole

5-chloro-3-[(3,4-difluorophenyl)methylsulfanyl]-1,2,4-thiadiazole (PubChem CID 75360640) has the molecular formula C9H5ClF2N2S2 and a molecular weight of 278.74 g/mol. Its IUPAC name is 5-chloro-3-[(3,4-difluorophenyl)methylsulfanyl]-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-chloro-3-[(3,4-difluorophenyl)methylsulfanyl]-1,2,4-thiadiazole
PubChem CID75360640
Molecular FormulaC9H5ClF2N2S2
Molecular Weight278.74 g/mol
Exact Mass277.96
IUPAC Name5-chloro-3-[(3,4-difluorophenyl)methylsulfanyl]-1,2,4-thiadiazole
SMILESFc1ccc(CSc2nsc(Cl)n2)cc1F
InChIInChI=1S/C9H5ClF2N2S2/c10-8-13-9(14-16-8)15-4-5-1-2-6(11)7(12)3-5/h1-3H,4H2
InChIKeyAWRGVIDEYKGJPJ-UHFFFAOYSA-N
XLogP3.76
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[(3,4-difluorophenyl)methylsulfanyl]-1,2,4-thiadiazole?
The IUPAC name of 5-chloro-3-[(3,4-difluorophenyl)methylsulfanyl]-1,2,4-thiadiazole (CID 75360640) is 5-chloro-3-[(3,4-difluorophenyl)methylsulfanyl]-1,2,4-thiadiazole.
What is the SMILES notation for 5-chloro-3-[(3,4-difluorophenyl)methylsulfanyl]-1,2,4-thiadiazole?
The canonical SMILES for 5-chloro-3-[(3,4-difluorophenyl)methylsulfanyl]-1,2,4-thiadiazole is Fc1ccc(CSc2nsc(Cl)n2)cc1F.
What is the InChIKey of 5-chloro-3-[(3,4-difluorophenyl)methylsulfanyl]-1,2,4-thiadiazole?
The InChIKey is AWRGVIDEYKGJPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClF2N2S2/c10-8-13-9(14-16-8)15-4-5-1-2-6(11)7(12)3-5/h1-3H,4H2.
What are the key properties of 5-chloro-3-[(3,4-difluorophenyl)methylsulfanyl]-1,2,4-thiadiazole?
5-chloro-3-[(3,4-difluorophenyl)methylsulfanyl]-1,2,4-thiadiazole has a molecular weight of 278.74 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[(3,4-difluorophenyl)methylsulfanyl]-1,2,4-thiadiazole is sourced from PubChem (CID 75360640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).