2-[2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)oxy]phenyl]acetic acid

C13H14N2O3S — CID 80741684

IUPAC2-[2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)oxy]phenyl]acetic acid
SMILESCC(C)c1nsc(Oc2ccccc2CC(=O)O)n1
InChIInChI=1S/C13H14N2O3S/c1-8(2)12-14-13(19-15-12)18-10-6-4-3-5-9(10)7-11(16)17/h3-6,8H,7H2,1-2H3,(H,16,17)
InChIKeyQWVDYITUHXBIIB-UHFFFAOYSA-N
MW278.33 g/mol
LogP3.08
Rot. Bonds5

About 2-[2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)oxy]phenyl]acetic acid

2-[2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)oxy]phenyl]acetic acid (PubChem CID 80741684) has the molecular formula C13H14N2O3S and a molecular weight of 278.33 g/mol. Its IUPAC name is 2-[2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)oxy]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)oxy]phenyl]acetic acid
PubChem CID80741684
Molecular FormulaC13H14N2O3S
Molecular Weight278.33 g/mol
Exact Mass278.07
IUPAC Name2-[2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)oxy]phenyl]acetic acid
SMILESCC(C)c1nsc(Oc2ccccc2CC(=O)O)n1
InChIInChI=1S/C13H14N2O3S/c1-8(2)12-14-13(19-15-12)18-10-6-4-3-5-9(10)7-11(16)17/h3-6,8H,7H2,1-2H3,(H,16,17)
InChIKeyQWVDYITUHXBIIB-UHFFFAOYSA-N
XLogP3.08
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-4-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)oxy]benzoic acid
CID 107672723
2-[2-[2-(carboxymethyl)phenoxy]phenyl]acetic acid
CID 14801619
2-(2-pyrimidin-2-yloxyphenyl)acetic acid
CID 70166639
5-ethyl-2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)oxy]aniline
CID 65273904
2-[2-[(3-methyl-4-pyridinyl)oxy]phenyl]acetic acid
CID 80742147
2-(2-quinoxalin-2-yloxyphenyl)acetic acid
CID 80735910
2-(2-propan-2-ylphenyl)acetic acid;hydrochloride
CID 70396456
2-[2-(2-aminophenoxy)phenyl]acetic acid
CID 13409453
2-[2-(3,3-dimethylbutan-2-yloxy)phenyl]acetic acid
CID 117054311
2-[2-(1-amino-1-oxopropan-2-yl)oxyphenyl]acetic acid
CID 80741605
3-ethyl-5-(2-prop-2-enylphenoxy)-1,2,4-thiadiazole
CID 133425169
2-[2-[(3-methyl-2-pyridinyl)oxy]phenyl]acetic acid
CID 80741818

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)oxy]phenyl]acetic acid?
The IUPAC name of 2-[2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)oxy]phenyl]acetic acid (CID 80741684) is 2-[2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)oxy]phenyl]acetic acid.
What is the SMILES notation for 2-[2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)oxy]phenyl]acetic acid?
The canonical SMILES for 2-[2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)oxy]phenyl]acetic acid is CC(C)c1nsc(Oc2ccccc2CC(=O)O)n1.
What is the InChIKey of 2-[2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)oxy]phenyl]acetic acid?
The InChIKey is QWVDYITUHXBIIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S/c1-8(2)12-14-13(19-15-12)18-10-6-4-3-5-9(10)7-11(16)17/h3-6,8H,7H2,1-2H3,(H,16,17).
What are the key properties of 2-[2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)oxy]phenyl]acetic acid?
2-[2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)oxy]phenyl]acetic acid has a molecular weight of 278.33 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)oxy]phenyl]acetic acid is sourced from PubChem (CID 80741684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).