2-[3-(thiadiazole-5-carbonylamino)phenoxy]acetic acid

C11H9N3O4S — CID 61058223

IUPAC2-[3-(thiadiazole-5-carbonylamino)phenoxy]acetic acid
SMILESO=C(O)COc1cccc(NC(=O)c2cnns2)c1
InChIInChI=1S/C11H9N3O4S/c15-10(16)6-18-8-3-1-2-7(4-8)13-11(17)9-5-12-14-19-9/h1-5H,6H2,(H,13,17)(H,15,16)
InChIKeyKVQATOSBPXUXTR-UHFFFAOYSA-N
MW279.28 g/mol
LogP1.25
Rot. Bonds5

About 2-[3-(thiadiazole-5-carbonylamino)phenoxy]acetic acid

2-[3-(thiadiazole-5-carbonylamino)phenoxy]acetic acid (PubChem CID 61058223) has the molecular formula C11H9N3O4S and a molecular weight of 279.28 g/mol. Its IUPAC name is 2-[3-(thiadiazole-5-carbonylamino)phenoxy]acetic acid.

Molecular Properties

Compound Name2-[3-(thiadiazole-5-carbonylamino)phenoxy]acetic acid
PubChem CID61058223
Molecular FormulaC11H9N3O4S
Molecular Weight279.28 g/mol
Exact Mass279.03
IUPAC Name2-[3-(thiadiazole-5-carbonylamino)phenoxy]acetic acid
SMILESO=C(O)COc1cccc(NC(=O)c2cnns2)c1
InChIInChI=1S/C11H9N3O4S/c15-10(16)6-18-8-3-1-2-7(4-8)13-11(17)9-5-12-14-19-9/h1-5H,6H2,(H,13,17)(H,15,16)
InChIKeyKVQATOSBPXUXTR-UHFFFAOYSA-N
XLogP1.25
TPSA101.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.28
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(thiadiazole-5-carbonylamino)phenoxy]acetic acid?
The IUPAC name of 2-[3-(thiadiazole-5-carbonylamino)phenoxy]acetic acid (CID 61058223) is 2-[3-(thiadiazole-5-carbonylamino)phenoxy]acetic acid.
What is the SMILES notation for 2-[3-(thiadiazole-5-carbonylamino)phenoxy]acetic acid?
The canonical SMILES for 2-[3-(thiadiazole-5-carbonylamino)phenoxy]acetic acid is O=C(O)COc1cccc(NC(=O)c2cnns2)c1.
What is the InChIKey of 2-[3-(thiadiazole-5-carbonylamino)phenoxy]acetic acid?
The InChIKey is KVQATOSBPXUXTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O4S/c15-10(16)6-18-8-3-1-2-7(4-8)13-11(17)9-5-12-14-19-9/h1-5H,6H2,(H,13,17)(H,15,16).
What are the key properties of 2-[3-(thiadiazole-5-carbonylamino)phenoxy]acetic acid?
2-[3-(thiadiazole-5-carbonylamino)phenoxy]acetic acid has a molecular weight of 279.28 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(thiadiazole-5-carbonylamino)phenoxy]acetic acid is sourced from PubChem (CID 61058223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).