5-[1-(2,3-difluorophenoxy)ethyl]-4-methylthiadiazole

C11H10F2N2OS — CID 138005886

IUPAC5-[1-(2,3-difluorophenoxy)ethyl]-4-methylthiadiazole
SMILESCc1nnsc1C(C)Oc1cccc(F)c1F
InChIInChI=1S/C11H10F2N2OS/c1-6-11(17-15-14-6)7(2)16-9-5-3-4-8(12)10(9)13/h3-5,7H,1-2H3
InChIKeyYKZLHNZXAIRTQB-UHFFFAOYSA-N
MW256.28 g/mol
LogP3.26
Rot. Bonds3

About 5-[1-(2,3-difluorophenoxy)ethyl]-4-methylthiadiazole

5-[1-(2,3-difluorophenoxy)ethyl]-4-methylthiadiazole (PubChem CID 138005886) has the molecular formula C11H10F2N2OS and a molecular weight of 256.28 g/mol. Its IUPAC name is 5-[1-(2,3-difluorophenoxy)ethyl]-4-methylthiadiazole.

Molecular Properties

Compound Name5-[1-(2,3-difluorophenoxy)ethyl]-4-methylthiadiazole
PubChem CID138005886
Molecular FormulaC11H10F2N2OS
Molecular Weight256.28 g/mol
Exact Mass256.05
IUPAC Name5-[1-(2,3-difluorophenoxy)ethyl]-4-methylthiadiazole
SMILESCc1nnsc1C(C)Oc1cccc(F)c1F
InChIInChI=1S/C11H10F2N2OS/c1-6-11(17-15-14-6)7(2)16-9-5-3-4-8(12)10(9)13/h3-5,7H,1-2H3
InChIKeyYKZLHNZXAIRTQB-UHFFFAOYSA-N
XLogP3.26
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2,6-difluorophenyl)-(4-methylthiadiazol-5-yl)methanamine
CID 105149466
2-(2,3-difluorophenoxy)propanamide
CID 63038540
2-(2,3-difluorophenyl)-N-ethyl-1-(4-methylthiadiazol-5-yl)ethanamine
CID 105137731
[2-(2-fluoro-3-methoxyphenyl)-1-(4-methylthiadiazol-5-yl)ethyl]hydrazine
CID 105334201
5-[(1S)-1-(2,3-difluorophenoxy)ethyl]-3-(2-methylphenyl)-1,2,4-oxadiazole
CID 95904228
(2,5-difluorophenyl)-(4-methylthiadiazol-5-yl)methanol
CID 105094790
4-(2,3-difluorophenoxy)pentan-2-amine
CID 64720911
2-(2-chloro-6-fluorophenyl)-1-(4-methylthiadiazol-5-yl)ethanamine
CID 105106036
(2R)-1-(2,3-difluorophenoxy)propan-2-amine
CID 79006344
2-(3-chloro-2-fluorophenyl)-1-(4-methylthiadiazol-5-yl)ethanamine
CID 102866882
1-(2,3-difluorophenoxy)-1-thiophen-2-ylpropan-2-amine
CID 63038311
3-(2,3-difluorophenoxy)-N'-hydroxybutanimidamide
CID 114990882

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2,3-difluorophenoxy)ethyl]-4-methylthiadiazole?
The IUPAC name of 5-[1-(2,3-difluorophenoxy)ethyl]-4-methylthiadiazole (CID 138005886) is 5-[1-(2,3-difluorophenoxy)ethyl]-4-methylthiadiazole.
What is the SMILES notation for 5-[1-(2,3-difluorophenoxy)ethyl]-4-methylthiadiazole?
The canonical SMILES for 5-[1-(2,3-difluorophenoxy)ethyl]-4-methylthiadiazole is Cc1nnsc1C(C)Oc1cccc(F)c1F.
What is the InChIKey of 5-[1-(2,3-difluorophenoxy)ethyl]-4-methylthiadiazole?
The InChIKey is YKZLHNZXAIRTQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N2OS/c1-6-11(17-15-14-6)7(2)16-9-5-3-4-8(12)10(9)13/h3-5,7H,1-2H3.
What are the key properties of 5-[1-(2,3-difluorophenoxy)ethyl]-4-methylthiadiazole?
5-[1-(2,3-difluorophenoxy)ethyl]-4-methylthiadiazole has a molecular weight of 256.28 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2,3-difluorophenoxy)ethyl]-4-methylthiadiazole is sourced from PubChem (CID 138005886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).