5-(4-chloro-2-fluorophenoxy)-3-ethyl-1,2,4-thiadiazole

C10H8ClFN2OS — CID 133425395

IUPAC5-(4-chloro-2-fluorophenoxy)-3-ethyl-1,2,4-thiadiazole
SMILESCCc1nsc(Oc2ccc(Cl)cc2F)n1
InChIInChI=1S/C10H8ClFN2OS/c1-2-9-13-10(16-14-9)15-8-4-3-6(11)5-7(8)12/h3-5H,2H2,1H3
InChIKeyTTYBFFAMKXIHPF-UHFFFAOYSA-N
MW258.70 g/mol
LogP3.69
Rot. Bonds3

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

5-(4-chloro-2-fluorophenoxy)-3-ethyl-1,2,4-thiadiazole (PubChem CID 133425395) has the molecular formula C10H8ClFN2OS and a molecular weight of 258.70 g/mol. Its IUPAC name is 5-(4-chloro-2-fluorophenoxy)-3-ethyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-(4-chloro-2-fluorophenoxy)-3-ethyl-1,2,4-thiadiazole
PubChem CID133425395
Molecular FormulaC10H8ClFN2OS
Molecular Weight258.70 g/mol
Exact Mass258.00
IUPAC Name5-(4-chloro-2-fluorophenoxy)-3-ethyl-1,2,4-thiadiazole
SMILESCCc1nsc(Oc2ccc(Cl)cc2F)n1
InChIInChI=1S/C10H8ClFN2OS/c1-2-9-13-10(16-14-9)15-8-4-3-6(11)5-7(8)12/h3-5H,2H2,1H3
InChIKeyTTYBFFAMKXIHPF-UHFFFAOYSA-N
XLogP3.69
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.70
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-Chloro-4-fluorophenoxy)-3-methyl-1,2,4-thiadiazole
CID 54110676
5-(3,4-Difluorophenoxy)-3-methyl-1,2,4-thiadiazole
CID 133425123
3-Cyclopropyl-5-(3,4-difluorophenoxy)-1,2,4-thiadiazole
CID 133425124
5-(3,4-Difluorophenoxy)-3-propan-2-yl-1,2,4-thiadiazole
CID 133425130
5-(3,4-Difluorophenoxy)-3-ethyl-1,2,4-thiadiazole
CID 133425132
3-Methyl-5-(2,3,5,6-tetrafluorophenoxy)-1,2,4-thiadiazole
CID 133425187
5-[2-Chloro-5-(trifluoromethyl)phenoxy]-3-ethyl-1,2,4-thiadiazole
CID 133425351
5-(2,4-Difluorophenoxy)-3-methyl-1,2,4-thiadiazole
CID 133425353
3-Cyclopropyl-5-(2,4-difluorophenoxy)-1,2,4-thiadiazole
CID 133425354
5-(2,4-Difluorophenoxy)-3-propan-2-yl-1,2,4-thiadiazole
CID 133425363
5-(2,4-Difluorophenoxy)-3-ethyl-1,2,4-thiadiazole
CID 133425366
5-(2,6-Difluorophenoxy)-3-methyl-1,2,4-thiadiazole
CID 133425367

Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-2-fluorophenoxy)-3-ethyl-1,2,4-thiadiazole?
The IUPAC name of 5-(4-chloro-2-fluorophenoxy)-3-ethyl-1,2,4-thiadiazole (CID 133425395) is 5-(4-chloro-2-fluorophenoxy)-3-ethyl-1,2,4-thiadiazole.
What is the SMILES notation for 5-(4-chloro-2-fluorophenoxy)-3-ethyl-1,2,4-thiadiazole?
The canonical SMILES for 5-(4-chloro-2-fluorophenoxy)-3-ethyl-1,2,4-thiadiazole is CCc1nsc(Oc2ccc(Cl)cc2F)n1.
What is the InChIKey of 5-(4-chloro-2-fluorophenoxy)-3-ethyl-1,2,4-thiadiazole?
The InChIKey is TTYBFFAMKXIHPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFN2OS/c1-2-9-13-10(16-14-9)15-8-4-3-6(11)5-7(8)12/h3-5H,2H2,1H3.
What are the key properties of 5-(4-chloro-2-fluorophenoxy)-3-ethyl-1,2,4-thiadiazole?
5-(4-chloro-2-fluorophenoxy)-3-ethyl-1,2,4-thiadiazole has a molecular weight of 258.70 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-2-fluorophenoxy)-3-ethyl-1,2,4-thiadiazole is sourced from PubChem (CID 133425395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).