4-methoxy-2-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]benzoic acid

C11H10N2O4S — CID 65273154

IUPAC4-methoxy-2-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]benzoic acid
SMILESCOc1ccc(C(=O)O)c(Oc2nc(C)ns2)c1
InChIInChI=1S/C11H10N2O4S/c1-6-12-11(18-13-6)17-9-5-7(16-2)3-4-8(9)10(14)15/h3-5H,1-2H3,(H,14,15)
InChIKeyHPQAOSCCDCEPOX-UHFFFAOYSA-N
MW266.28 g/mol
LogP2.35
Rot. Bonds4

About 4-methoxy-2-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]benzoic acid

4-methoxy-2-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]benzoic acid (PubChem CID 65273154) has the molecular formula C11H10N2O4S and a molecular weight of 266.28 g/mol. Its IUPAC name is 4-methoxy-2-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]benzoic acid.

Molecular Properties

Compound Name4-methoxy-2-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]benzoic acid
PubChem CID65273154
Molecular FormulaC11H10N2O4S
Molecular Weight266.28 g/mol
Exact Mass266.04
IUPAC Name4-methoxy-2-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]benzoic acid
SMILESCOc1ccc(C(=O)O)c(Oc2nc(C)ns2)c1
InChIInChI=1S/C11H10N2O4S/c1-6-12-11(18-13-6)17-9-5-7(16-2)3-4-8(9)10(14)15/h3-5H,1-2H3,(H,14,15)
InChIKeyHPQAOSCCDCEPOX-UHFFFAOYSA-N
XLogP2.35
TPSA81.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.28
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-2-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]benzoic acid
CID 65273212
4-methoxy-2-(2-methylpyrimidin-4-yl)oxybenzoic acid
CID 62770062
2,4-dimethoxybenzoic acid
CID 7052
2,4-dimethoxybenzoic acid
CID 67450326
4-methoxy-2-pyridin-4-yloxybenzoic acid
CID 58236553
2-(4-methoxyphenoxy)-4-methylbenzoic acid
CID 55107428
2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)oxy]-4-methylbenzoic acid
CID 65275406
2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)oxy]-4-methoxybenzoic acid
CID 62857687
2-(3,5-dichlorophenoxy)-4-methoxybenzoic acid
CID 81309181
2-(2-bromoprop-2-enoxy)-4-methoxybenzoic acid
CID 61379603
4-methoxy-2-(4-methylsulfanylphenoxy)benzoic acid
CID 81308953
4-methoxy-2-pyrimidin-4-yloxybenzoic acid
CID 55134188

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]benzoic acid?
The IUPAC name of 4-methoxy-2-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]benzoic acid (CID 65273154) is 4-methoxy-2-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]benzoic acid.
What is the SMILES notation for 4-methoxy-2-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]benzoic acid?
The canonical SMILES for 4-methoxy-2-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]benzoic acid is COc1ccc(C(=O)O)c(Oc2nc(C)ns2)c1.
What is the InChIKey of 4-methoxy-2-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]benzoic acid?
The InChIKey is HPQAOSCCDCEPOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O4S/c1-6-12-11(18-13-6)17-9-5-7(16-2)3-4-8(9)10(14)15/h3-5H,1-2H3,(H,14,15).
What are the key properties of 4-methoxy-2-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]benzoic acid?
4-methoxy-2-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]benzoic acid has a molecular weight of 266.28 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]benzoic acid is sourced from PubChem (CID 65273154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).