2-(difluoromethylsulfanyl)-5-pyrrol-1-yl-1,3,4-thiadiazole

C7H5F2N3S2 — CID 134116967

IUPAC2-(difluoromethylsulfanyl)-5-pyrrol-1-yl-1,3,4-thiadiazole
SMILESFC(F)Sc1nnc(-n2cccc2)s1
InChIInChI=1S/C7H5F2N3S2/c8-5(9)13-7-11-10-6(14-7)12-3-1-2-4-12/h1-5H
InChIKeyDNBHMCGPIVNCCQ-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.64
Rot. Bonds3

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

2-(difluoromethylsulfanyl)-5-pyrrol-1-yl-1,3,4-thiadiazole (PubChem CID 134116967) has the molecular formula C7H5F2N3S2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 2-(difluoromethylsulfanyl)-5-pyrrol-1-yl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(difluoromethylsulfanyl)-5-pyrrol-1-yl-1,3,4-thiadiazole
PubChem CID134116967
Molecular FormulaC7H5F2N3S2
Molecular Weight233.27 g/mol
Exact Mass232.99
IUPAC Name2-(difluoromethylsulfanyl)-5-pyrrol-1-yl-1,3,4-thiadiazole
SMILESFC(F)Sc1nnc(-n2cccc2)s1
InChIInChI=1S/C7H5F2N3S2/c8-5(9)13-7-11-10-6(14-7)12-3-1-2-4-12/h1-5H
InChIKeyDNBHMCGPIVNCCQ-UHFFFAOYSA-N
XLogP2.64
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethylsulfanyl)-5-pyrrol-1-yl-1,3,4-thiadiazole?
The IUPAC name of 2-(difluoromethylsulfanyl)-5-pyrrol-1-yl-1,3,4-thiadiazole (CID 134116967) is 2-(difluoromethylsulfanyl)-5-pyrrol-1-yl-1,3,4-thiadiazole.
What is the SMILES notation for 2-(difluoromethylsulfanyl)-5-pyrrol-1-yl-1,3,4-thiadiazole?
The canonical SMILES for 2-(difluoromethylsulfanyl)-5-pyrrol-1-yl-1,3,4-thiadiazole is FC(F)Sc1nnc(-n2cccc2)s1.
What is the InChIKey of 2-(difluoromethylsulfanyl)-5-pyrrol-1-yl-1,3,4-thiadiazole?
The InChIKey is DNBHMCGPIVNCCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F2N3S2/c8-5(9)13-7-11-10-6(14-7)12-3-1-2-4-12/h1-5H.
What are the key properties of 2-(difluoromethylsulfanyl)-5-pyrrol-1-yl-1,3,4-thiadiazole?
2-(difluoromethylsulfanyl)-5-pyrrol-1-yl-1,3,4-thiadiazole has a molecular weight of 233.27 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethylsulfanyl)-5-pyrrol-1-yl-1,3,4-thiadiazole is sourced from PubChem (CID 134116967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).