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

C3HClF2N2S — CID 22157821

IUPAC5-chloro-3-(difluoromethyl)-1,2,4-thiadiazole
SMILESFC(F)c1nsc(Cl)n1
InChIInChI=1S/C3HClF2N2S/c4-3-7-2(1(5)6)8-9-3/h1H
InChIKeySDFHPDFDZCIPBH-UHFFFAOYSA-N
MW170.57 g/mol
LogP2.13
Rot. Bonds1

About 5-chloro-3-(difluoromethyl)-1,2,4-thiadiazole

5-chloro-3-(difluoromethyl)-1,2,4-thiadiazole (PubChem CID 22157821) has the molecular formula C3HClF2N2S and a molecular weight of 170.57 g/mol. Its IUPAC name is 5-chloro-3-(difluoromethyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-chloro-3-(difluoromethyl)-1,2,4-thiadiazole
PubChem CID22157821
Molecular FormulaC3HClF2N2S
Molecular Weight170.57 g/mol
Exact Mass169.95
IUPAC Name5-chloro-3-(difluoromethyl)-1,2,4-thiadiazole
SMILESFC(F)c1nsc(Cl)n1
InChIInChI=1S/C3HClF2N2S/c4-3-7-2(1(5)6)8-9-3/h1H
InChIKeySDFHPDFDZCIPBH-UHFFFAOYSA-N
XLogP2.13
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.57
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(difluoromethyl)-1,2,4-thiadiazole?
The IUPAC name of 5-chloro-3-(difluoromethyl)-1,2,4-thiadiazole (CID 22157821) is 5-chloro-3-(difluoromethyl)-1,2,4-thiadiazole.
What is the SMILES notation for 5-chloro-3-(difluoromethyl)-1,2,4-thiadiazole?
The canonical SMILES for 5-chloro-3-(difluoromethyl)-1,2,4-thiadiazole is FC(F)c1nsc(Cl)n1.
What is the InChIKey of 5-chloro-3-(difluoromethyl)-1,2,4-thiadiazole?
The InChIKey is SDFHPDFDZCIPBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3HClF2N2S/c4-3-7-2(1(5)6)8-9-3/h1H.
What are the key properties of 5-chloro-3-(difluoromethyl)-1,2,4-thiadiazole?
5-chloro-3-(difluoromethyl)-1,2,4-thiadiazole has a molecular weight of 170.57 g/mol, XLogP of 2.13, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(difluoromethyl)-1,2,4-thiadiazole is sourced from PubChem (CID 22157821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).