2-[(3-ethyl-1,2,4-thiadiazol-5-yl)oxy]-5-methylbenzoic acid

C12H12N2O3S — CID 65274789

IUPAC2-[(3-ethyl-1,2,4-thiadiazol-5-yl)oxy]-5-methylbenzoic acid
SMILESCCc1nsc(Oc2ccc(C)cc2C(=O)O)n1
InChIInChI=1S/C12H12N2O3S/c1-3-10-13-12(18-14-10)17-9-5-4-7(2)6-8(9)11(15)16/h4-6H,3H2,1-2H3,(H,15,16)
InChIKeyKBKHEDFXKUSJMJ-UHFFFAOYSA-N
MW264.31 g/mol
LogP2.90
Rot. Bonds4

About 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)oxy]-5-methylbenzoic acid

2-[(3-ethyl-1,2,4-thiadiazol-5-yl)oxy]-5-methylbenzoic acid (PubChem CID 65274789) has the molecular formula C12H12N2O3S and a molecular weight of 264.31 g/mol. Its IUPAC name is 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)oxy]-5-methylbenzoic acid.

Molecular Properties

Compound Name2-[(3-ethyl-1,2,4-thiadiazol-5-yl)oxy]-5-methylbenzoic acid
PubChem CID65274789
Molecular FormulaC12H12N2O3S
Molecular Weight264.31 g/mol
Exact Mass264.06
IUPAC Name2-[(3-ethyl-1,2,4-thiadiazol-5-yl)oxy]-5-methylbenzoic acid
SMILESCCc1nsc(Oc2ccc(C)cc2C(=O)O)n1
InChIInChI=1S/C12H12N2O3S/c1-3-10-13-12(18-14-10)17-9-5-4-7(2)6-8(9)11(15)16/h4-6H,3H2,1-2H3,(H,15,16)
InChIKeyKBKHEDFXKUSJMJ-UHFFFAOYSA-N
XLogP2.90
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]oxy]benzoic acid
CID 107305803
3-[(3-ethyl-1,2,4-thiadiazol-5-yl)oxy]-2-methylbenzoic acid
CID 82830818
4-fluoro-2-[(3-propyl-1,2,4-thiadiazol-5-yl)oxy]benzoic acid
CID 107016499
2-[(5,6-diethyl-1,2,4-triazin-3-yl)oxy]-5-methylbenzoic acid
CID 105363214
5-chloro-2-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]benzoic acid
CID 65273212
2-(1,3-benzothiazol-2-yloxy)-5-methylbenzoic acid
CID 61396339
2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)oxy]-4-methylbenzoic acid
CID 65275406
2-(3,5-dimethylphenoxy)-5-methylbenzoic acid
CID 55192437
2-(1-ethoxy-1-oxobutan-2-yl)oxy-5-methylbenzoic acid
CID 64662565
2-(2,6-dimethylpyrimidin-4-yl)oxy-5-methylbenzoic acid
CID 61396292
5-methyl-2-nonoxybenzoic acid
CID 63463067
5-methyl-2-(2-propoxyphenoxy)benzoic acid
CID 62514617

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)oxy]-5-methylbenzoic acid?
The IUPAC name of 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)oxy]-5-methylbenzoic acid (CID 65274789) is 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)oxy]-5-methylbenzoic acid.
What is the SMILES notation for 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)oxy]-5-methylbenzoic acid?
The canonical SMILES for 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)oxy]-5-methylbenzoic acid is CCc1nsc(Oc2ccc(C)cc2C(=O)O)n1.
What is the InChIKey of 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)oxy]-5-methylbenzoic acid?
The InChIKey is KBKHEDFXKUSJMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3S/c1-3-10-13-12(18-14-10)17-9-5-4-7(2)6-8(9)11(15)16/h4-6H,3H2,1-2H3,(H,15,16).
What are the key properties of 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)oxy]-5-methylbenzoic acid?
2-[(3-ethyl-1,2,4-thiadiazol-5-yl)oxy]-5-methylbenzoic acid has a molecular weight of 264.31 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)oxy]-5-methylbenzoic acid is sourced from PubChem (CID 65274789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).