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

C8H5F2N3S2 — CID 19870491

IUPAC2-(difluoromethylsulfanyl)-5-pyridin-3-yl-1,3,4-thiadiazole
SMILESFC(F)Sc1nnc(-c2cccnc2)s1
InChIInChI=1S/C8H5F2N3S2/c9-7(10)15-8-13-12-6(14-8)5-2-1-3-11-4-5/h1-4,7H
InChIKeyHDKJKGJADUYEPF-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.91
Rot. Bonds3

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

2-(difluoromethylsulfanyl)-5-pyridin-3-yl-1,3,4-thiadiazole (PubChem CID 19870491) has the molecular formula C8H5F2N3S2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-(difluoromethylsulfanyl)-5-pyridin-3-yl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(difluoromethylsulfanyl)-5-pyridin-3-yl-1,3,4-thiadiazole
PubChem CID19870491
Molecular FormulaC8H5F2N3S2
Molecular Weight245.28 g/mol
Exact Mass244.99
IUPAC Name2-(difluoromethylsulfanyl)-5-pyridin-3-yl-1,3,4-thiadiazole
SMILESFC(F)Sc1nnc(-c2cccnc2)s1
InChIInChI=1S/C8H5F2N3S2/c9-7(10)15-8-13-12-6(14-8)5-2-1-3-11-4-5/h1-4,7H
InChIKeyHDKJKGJADUYEPF-UHFFFAOYSA-N
XLogP2.91
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethylsulfanyl)-5-pyridin-3-yl-1,3,4-thiadiazole?
The IUPAC name of 2-(difluoromethylsulfanyl)-5-pyridin-3-yl-1,3,4-thiadiazole (CID 19870491) is 2-(difluoromethylsulfanyl)-5-pyridin-3-yl-1,3,4-thiadiazole.
What is the SMILES notation for 2-(difluoromethylsulfanyl)-5-pyridin-3-yl-1,3,4-thiadiazole?
The canonical SMILES for 2-(difluoromethylsulfanyl)-5-pyridin-3-yl-1,3,4-thiadiazole is FC(F)Sc1nnc(-c2cccnc2)s1.
What is the InChIKey of 2-(difluoromethylsulfanyl)-5-pyridin-3-yl-1,3,4-thiadiazole?
The InChIKey is HDKJKGJADUYEPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F2N3S2/c9-7(10)15-8-13-12-6(14-8)5-2-1-3-11-4-5/h1-4,7H.
What are the key properties of 2-(difluoromethylsulfanyl)-5-pyridin-3-yl-1,3,4-thiadiazole?
2-(difluoromethylsulfanyl)-5-pyridin-3-yl-1,3,4-thiadiazole has a molecular weight of 245.28 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethylsulfanyl)-5-pyridin-3-yl-1,3,4-thiadiazole is sourced from PubChem (CID 19870491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).