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

C12H10N2O3S — CID 65274619

IUPAC2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)oxy]benzoic acid
SMILESO=C(O)c1ccccc1Oc1nc(C2CC2)ns1
InChIInChI=1S/C12H10N2O3S/c15-11(16)8-3-1-2-4-9(8)17-12-13-10(14-18-12)7-5-6-7/h1-4,7H,5-6H2,(H,15,16)
InChIKeyGCCUCURRXLFFEU-UHFFFAOYSA-N
MW262.29 g/mol
LogP2.91
Rot. Bonds4

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

2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)oxy]benzoic acid (PubChem CID 65274619) has the molecular formula C12H10N2O3S and a molecular weight of 262.29 g/mol. Its IUPAC name is 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)oxy]benzoic acid.

Molecular Properties

Compound Name2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)oxy]benzoic acid
PubChem CID65274619
Molecular FormulaC12H10N2O3S
Molecular Weight262.29 g/mol
Exact Mass262.04
IUPAC Name2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)oxy]benzoic acid
SMILESO=C(O)c1ccccc1Oc1nc(C2CC2)ns1
InChIInChI=1S/C12H10N2O3S/c15-11(16)8-3-1-2-4-9(8)17-12-13-10(14-18-12)7-5-6-7/h1-4,7H,5-6H2,(H,15,16)
InChIKeyGCCUCURRXLFFEU-UHFFFAOYSA-N
XLogP2.91
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)oxy]-2-methylbenzoic acid
CID 82830819
2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)oxy]-4-methylbenzoic acid
CID 65275406
4-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)oxy]-2-methylbenzoic acid
CID 107672607
3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)oxy]-4-nitrobenzoic acid
CID 107078084
2-(2-carboxyphenoxy)benzoic acid;ethene
CID 67642848
3-cyclopropyl-5-(2,4-difluorophenoxy)-1,2,4-thiadiazole
CID 133425354
2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)oxy]-5-fluoroaniline
CID 65274190
2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)oxy]-4-fluorobenzoic acid
CID 107016611
2-[(5-methyl-1,3,4-thiadiazol-2-yl)oxy]benzoic acid
CID 65208222
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
4-bromo-3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)oxy]aniline
CID 103011754

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)oxy]benzoic acid?
The IUPAC name of 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)oxy]benzoic acid (CID 65274619) is 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)oxy]benzoic acid.
What is the SMILES notation for 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)oxy]benzoic acid?
The canonical SMILES for 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)oxy]benzoic acid is O=C(O)c1ccccc1Oc1nc(C2CC2)ns1.
What is the InChIKey of 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)oxy]benzoic acid?
The InChIKey is GCCUCURRXLFFEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3S/c15-11(16)8-3-1-2-4-9(8)17-12-13-10(14-18-12)7-5-6-7/h1-4,7H,5-6H2,(H,15,16).
What are the key properties of 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)oxy]benzoic acid?
2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)oxy]benzoic acid has a molecular weight of 262.29 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)oxy]benzoic acid is sourced from PubChem (CID 65274619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).