2-cyclopropyl-5-(difluoromethylsulfanyl)-1,3,4-thiadiazole

C6H6F2N2S2 — CID 14837633

IUPAC2-cyclopropyl-5-(difluoromethylsulfanyl)-1,3,4-thiadiazole
SMILESFC(F)Sc1nnc(C2CC2)s1
InChIInChI=1S/C6H6F2N2S2/c7-5(8)12-6-10-9-4(11-6)3-1-2-3/h3,5H,1-2H2
InChIKeyRFWRSIJJUZDLCY-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.73
Rot. Bonds3

About 2-cyclopropyl-5-(difluoromethylsulfanyl)-1,3,4-thiadiazole

2-cyclopropyl-5-(difluoromethylsulfanyl)-1,3,4-thiadiazole (PubChem CID 14837633) has the molecular formula C6H6F2N2S2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-cyclopropyl-5-(difluoromethylsulfanyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-cyclopropyl-5-(difluoromethylsulfanyl)-1,3,4-thiadiazole
PubChem CID14837633
Molecular FormulaC6H6F2N2S2
Molecular Weight208.26 g/mol
Exact Mass207.99
IUPAC Name2-cyclopropyl-5-(difluoromethylsulfanyl)-1,3,4-thiadiazole
SMILESFC(F)Sc1nnc(C2CC2)s1
InChIInChI=1S/C6H6F2N2S2/c7-5(8)12-6-10-9-4(11-6)3-1-2-3/h3,5H,1-2H2
InChIKeyRFWRSIJJUZDLCY-UHFFFAOYSA-N
XLogP2.73
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-(difluoromethylsulfanyl)-1,3,4-thiadiazole?
The IUPAC name of 2-cyclopropyl-5-(difluoromethylsulfanyl)-1,3,4-thiadiazole (CID 14837633) is 2-cyclopropyl-5-(difluoromethylsulfanyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-cyclopropyl-5-(difluoromethylsulfanyl)-1,3,4-thiadiazole?
The canonical SMILES for 2-cyclopropyl-5-(difluoromethylsulfanyl)-1,3,4-thiadiazole is FC(F)Sc1nnc(C2CC2)s1.
What is the InChIKey of 2-cyclopropyl-5-(difluoromethylsulfanyl)-1,3,4-thiadiazole?
The InChIKey is RFWRSIJJUZDLCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F2N2S2/c7-5(8)12-6-10-9-4(11-6)3-1-2-3/h3,5H,1-2H2.
What are the key properties of 2-cyclopropyl-5-(difluoromethylsulfanyl)-1,3,4-thiadiazole?
2-cyclopropyl-5-(difluoromethylsulfanyl)-1,3,4-thiadiazole has a molecular weight of 208.26 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-(difluoromethylsulfanyl)-1,3,4-thiadiazole is sourced from PubChem (CID 14837633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).