3-(difluoromethyl)-1,2,4-thiadiazole

C3H2F2N2S — CID 135334488

IUPAC3-(difluoromethyl)-1,2,4-thiadiazole
SMILESFC(F)c1ncsn1
InChIInChI=1S/C3H2F2N2S/c4-2(5)3-6-1-8-7-3/h1-2H
InChIKeyTVSDSRGSUIRJSI-UHFFFAOYSA-N
MW136.13 g/mol
LogP1.48
Rot. Bonds1

About 3-(difluoromethyl)-1,2,4-thiadiazole

3-(difluoromethyl)-1,2,4-thiadiazole (PubChem CID 135334488) has the molecular formula C3H2F2N2S and a molecular weight of 136.13 g/mol. Its IUPAC name is 3-(difluoromethyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-(difluoromethyl)-1,2,4-thiadiazole
PubChem CID135334488
Molecular FormulaC3H2F2N2S
Molecular Weight136.13 g/mol
Exact Mass135.99
IUPAC Name3-(difluoromethyl)-1,2,4-thiadiazole
SMILESFC(F)c1ncsn1
InChIInChI=1S/C3H2F2N2S/c4-2(5)3-6-1-8-7-3/h1-2H
InChIKeyTVSDSRGSUIRJSI-UHFFFAOYSA-N
XLogP1.48
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.13
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(Trifluoromethyl)-1,2,4-thiadiazole
CID 21298103
5-(Trifluoromethyl)-1,2,4-thiadiazole
CID 90766337
3-(3,3,3-Trifluoropropyl)-1,2,4-thiadiazole
CID 91290793
5-(Difluoromethyl)-1,2,4-thiadiazole
CID 123281310
3-Methyl-[1,2,4]thiadiazole
CID 12260128
3-(Bromomethyl)-1,2,4-thiadiazole
CID 17881192
1,2,4-Thiadiazole-3-carbonitrile
CID 20318351
CID 59438549
CID 59438549
Ethane;3-methyl-1,2,4-thiadiazole
CID 91590176
CID 140673899
CID 140673899
3-(Trideuteriomethyl)-1,2,4-thiadiazole
CID 175691094
CID 175962424
CID 175962424

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-1,2,4-thiadiazole?
The IUPAC name of 3-(difluoromethyl)-1,2,4-thiadiazole (CID 135334488) is 3-(difluoromethyl)-1,2,4-thiadiazole.
What is the SMILES notation for 3-(difluoromethyl)-1,2,4-thiadiazole?
The canonical SMILES for 3-(difluoromethyl)-1,2,4-thiadiazole is FC(F)c1ncsn1.
What is the InChIKey of 3-(difluoromethyl)-1,2,4-thiadiazole?
The InChIKey is TVSDSRGSUIRJSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2F2N2S/c4-2(5)3-6-1-8-7-3/h1-2H.
What are the key properties of 3-(difluoromethyl)-1,2,4-thiadiazole?
3-(difluoromethyl)-1,2,4-thiadiazole has a molecular weight of 136.13 g/mol, XLogP of 1.48, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-1,2,4-thiadiazole is sourced from PubChem (CID 135334488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).