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

C10H8N2O3S — CID 65208222

IUPAC2-[(5-methyl-1,3,4-thiadiazol-2-yl)oxy]benzoic acid
SMILESCc1nnc(Oc2ccccc2C(=O)O)s1
InChIInChI=1S/C10H8N2O3S/c1-6-11-12-10(16-6)15-8-5-3-2-4-7(8)9(13)14/h2-5H,1H3,(H,13,14)
InChIKeyLAHBJASDIPVFIH-UHFFFAOYSA-N
MW236.25 g/mol
LogP2.34
Rot. Bonds3

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

2-[(5-methyl-1,3,4-thiadiazol-2-yl)oxy]benzoic acid (PubChem CID 65208222) has the molecular formula C10H8N2O3S and a molecular weight of 236.25 g/mol. Its IUPAC name is 2-[(5-methyl-1,3,4-thiadiazol-2-yl)oxy]benzoic acid.

Molecular Properties

Compound Name2-[(5-methyl-1,3,4-thiadiazol-2-yl)oxy]benzoic acid
PubChem CID65208222
Molecular FormulaC10H8N2O3S
Molecular Weight236.25 g/mol
Exact Mass236.03
IUPAC Name2-[(5-methyl-1,3,4-thiadiazol-2-yl)oxy]benzoic acid
SMILESCc1nnc(Oc2ccccc2C(=O)O)s1
InChIInChI=1S/C10H8N2O3S/c1-6-11-12-10(16-6)15-8-5-3-2-4-7(8)9(13)14/h2-5H,1H3,(H,13,14)
InChIKeyLAHBJASDIPVFIH-UHFFFAOYSA-N
XLogP2.34
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(5-methyl-1,3,4-thiadiazol-2-yl)oxy]pyridine-4-carboxylic acid
CID 81442469
3-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)oxy]benzoic acid
CID 107672815
2-methyl-5-phenoxy-1,3,4-thiadiazole
CID 58752966
2-(2-carboxyphenoxy)benzoic acid;ethene
CID 67642848
2-[(4-methyl-1,3-thiazol-2-yl)oxy]benzamide
CID 142116921
2-(2-methoxycarbonylphenoxy)benzoic acid
CID 166513979
2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]benzoic acid
CID 12509218
2-[2,3-bis(2-carboxyphenoxy)phenoxy]benzoic acid
CID 68804426
2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)oxy]benzoic acid
CID 65274619
2-phenoxybenzoic acid;propan-2-ol
CID 159883753
2-(2-methylquinolin-4-yl)oxybenzoic acid
CID 61395430
5-[(5-methyl-1,3,4-thiadiazol-2-yl)oxy]pyridine-3-carboxylic acid
CID 65208563

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1,3,4-thiadiazol-2-yl)oxy]benzoic acid?
The IUPAC name of 2-[(5-methyl-1,3,4-thiadiazol-2-yl)oxy]benzoic acid (CID 65208222) is 2-[(5-methyl-1,3,4-thiadiazol-2-yl)oxy]benzoic acid.
What is the SMILES notation for 2-[(5-methyl-1,3,4-thiadiazol-2-yl)oxy]benzoic acid?
The canonical SMILES for 2-[(5-methyl-1,3,4-thiadiazol-2-yl)oxy]benzoic acid is Cc1nnc(Oc2ccccc2C(=O)O)s1.
What is the InChIKey of 2-[(5-methyl-1,3,4-thiadiazol-2-yl)oxy]benzoic acid?
The InChIKey is LAHBJASDIPVFIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O3S/c1-6-11-12-10(16-6)15-8-5-3-2-4-7(8)9(13)14/h2-5H,1H3,(H,13,14).
What are the key properties of 2-[(5-methyl-1,3,4-thiadiazol-2-yl)oxy]benzoic acid?
2-[(5-methyl-1,3,4-thiadiazol-2-yl)oxy]benzoic acid has a molecular weight of 236.25 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1,3,4-thiadiazol-2-yl)oxy]benzoic acid is sourced from PubChem (CID 65208222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).