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

C10H7ClN2O3S — CID 65273212

IUPAC5-chloro-2-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]benzoic acid
SMILESCc1nsc(Oc2ccc(Cl)cc2C(=O)O)n1
InChIInChI=1S/C10H7ClN2O3S/c1-5-12-10(17-13-5)16-8-3-2-6(11)4-7(8)9(14)15/h2-4H,1H3,(H,14,15)
InChIKeyDXYZTYVVNBDKMG-UHFFFAOYSA-N
MW270.70 g/mol
LogP2.99
Rot. Bonds3

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

5-chloro-2-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]benzoic acid (PubChem CID 65273212) has the molecular formula C10H7ClN2O3S and a molecular weight of 270.70 g/mol. Its IUPAC name is 5-chloro-2-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]benzoic acid.

Molecular Properties

Compound Name5-chloro-2-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]benzoic acid
PubChem CID65273212
Molecular FormulaC10H7ClN2O3S
Molecular Weight270.70 g/mol
Exact Mass269.99
IUPAC Name5-chloro-2-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]benzoic acid
SMILESCc1nsc(Oc2ccc(Cl)cc2C(=O)O)n1
InChIInChI=1S/C10H7ClN2O3S/c1-5-12-10(17-13-5)16-8-3-2-6(11)4-7(8)9(14)15/h2-4H,1H3,(H,14,15)
InChIKeyDXYZTYVVNBDKMG-UHFFFAOYSA-N
XLogP2.99
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.70
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]benzoic acid?
The IUPAC name of 5-chloro-2-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]benzoic acid (CID 65273212) is 5-chloro-2-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]benzoic acid.
What is the SMILES notation for 5-chloro-2-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]benzoic acid?
The canonical SMILES for 5-chloro-2-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]benzoic acid is Cc1nsc(Oc2ccc(Cl)cc2C(=O)O)n1.
What is the InChIKey of 5-chloro-2-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]benzoic acid?
The InChIKey is DXYZTYVVNBDKMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN2O3S/c1-5-12-10(17-13-5)16-8-3-2-6(11)4-7(8)9(14)15/h2-4H,1H3,(H,14,15).
What are the key properties of 5-chloro-2-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]benzoic acid?
5-chloro-2-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]benzoic acid has a molecular weight of 270.70 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]benzoic acid is sourced from PubChem (CID 65273212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).