3-methyl-5-(2,3,5,6-tetrafluorophenoxy)-1,2,4-thiadiazole

C9H4F4N2OS — CID 133425187

IUPAC3-methyl-5-(2,3,5,6-tetrafluorophenoxy)-1,2,4-thiadiazole
SMILESCc1nsc(Oc2c(F)c(F)cc(F)c2F)n1
InChIInChI=1S/C9H4F4N2OS/c1-3-14-9(17-15-3)16-8-6(12)4(10)2-5(11)7(8)13/h2H,1H3
InChIKeyCYUXQNMNGPMDGQ-UHFFFAOYSA-N
MW264.20 g/mol
LogP3.20
Rot. Bonds2

About 3-methyl-5-(2,3,5,6-tetrafluorophenoxy)-1,2,4-thiadiazole

3-methyl-5-(2,3,5,6-tetrafluorophenoxy)-1,2,4-thiadiazole (PubChem CID 133425187) has the molecular formula C9H4F4N2OS and a molecular weight of 264.20 g/mol. Its IUPAC name is 3-methyl-5-(2,3,5,6-tetrafluorophenoxy)-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-methyl-5-(2,3,5,6-tetrafluorophenoxy)-1,2,4-thiadiazole
PubChem CID133425187
Molecular FormulaC9H4F4N2OS
Molecular Weight264.20 g/mol
Exact Mass264.00
IUPAC Name3-methyl-5-(2,3,5,6-tetrafluorophenoxy)-1,2,4-thiadiazole
SMILESCc1nsc(Oc2c(F)c(F)cc(F)c2F)n1
InChIInChI=1S/C9H4F4N2OS/c1-3-14-9(17-15-3)16-8-6(12)4(10)2-5(11)7(8)13/h2H,1H3
InChIKeyCYUXQNMNGPMDGQ-UHFFFAOYSA-N
XLogP3.20
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.20
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(2,3,5,6-tetrafluorophenoxy)-1,2,4-thiadiazole?
The IUPAC name of 3-methyl-5-(2,3,5,6-tetrafluorophenoxy)-1,2,4-thiadiazole (CID 133425187) is 3-methyl-5-(2,3,5,6-tetrafluorophenoxy)-1,2,4-thiadiazole.
What is the SMILES notation for 3-methyl-5-(2,3,5,6-tetrafluorophenoxy)-1,2,4-thiadiazole?
The canonical SMILES for 3-methyl-5-(2,3,5,6-tetrafluorophenoxy)-1,2,4-thiadiazole is Cc1nsc(Oc2c(F)c(F)cc(F)c2F)n1.
What is the InChIKey of 3-methyl-5-(2,3,5,6-tetrafluorophenoxy)-1,2,4-thiadiazole?
The InChIKey is CYUXQNMNGPMDGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4F4N2OS/c1-3-14-9(17-15-3)16-8-6(12)4(10)2-5(11)7(8)13/h2H,1H3.
What are the key properties of 3-methyl-5-(2,3,5,6-tetrafluorophenoxy)-1,2,4-thiadiazole?
3-methyl-5-(2,3,5,6-tetrafluorophenoxy)-1,2,4-thiadiazole has a molecular weight of 264.20 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(2,3,5,6-tetrafluorophenoxy)-1,2,4-thiadiazole is sourced from PubChem (CID 133425187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).