2-(5-methoxy-1,2,4-thiadiazol-3-yl)propanoic acid

C6H8N2O3S — CID 82655769

IUPAC2-(5-methoxy-1,2,4-thiadiazol-3-yl)propanoic acid
SMILESCOc1nc(C(C)C(=O)O)ns1
InChIInChI=1S/C6H8N2O3S/c1-3(5(9)10)4-7-6(11-2)12-8-4/h3H,1-2H3,(H,9,10)
InChIKeyMOENYJJXSOYVLX-UHFFFAOYSA-N
MW188.21 g/mol
LogP0.73
Rot. Bonds3

About 2-(5-methoxy-1,2,4-thiadiazol-3-yl)propanoic acid

2-(5-methoxy-1,2,4-thiadiazol-3-yl)propanoic acid (PubChem CID 82655769) has the molecular formula C6H8N2O3S and a molecular weight of 188.21 g/mol. Its IUPAC name is 2-(5-methoxy-1,2,4-thiadiazol-3-yl)propanoic acid.

Molecular Properties

Compound Name2-(5-methoxy-1,2,4-thiadiazol-3-yl)propanoic acid
PubChem CID82655769
Molecular FormulaC6H8N2O3S
Molecular Weight188.21 g/mol
Exact Mass188.03
IUPAC Name2-(5-methoxy-1,2,4-thiadiazol-3-yl)propanoic acid
SMILESCOc1nc(C(C)C(=O)O)ns1
InChIInChI=1S/C6H8N2O3S/c1-3(5(9)10)4-7-6(11-2)12-8-4/h3H,1-2H3,(H,9,10)
InChIKeyMOENYJJXSOYVLX-UHFFFAOYSA-N
XLogP0.73
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.21
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-1,2,4-thiadiazol-3-yl)propanoic acid?
The IUPAC name of 2-(5-methoxy-1,2,4-thiadiazol-3-yl)propanoic acid (CID 82655769) is 2-(5-methoxy-1,2,4-thiadiazol-3-yl)propanoic acid.
What is the SMILES notation for 2-(5-methoxy-1,2,4-thiadiazol-3-yl)propanoic acid?
The canonical SMILES for 2-(5-methoxy-1,2,4-thiadiazol-3-yl)propanoic acid is COc1nc(C(C)C(=O)O)ns1.
What is the InChIKey of 2-(5-methoxy-1,2,4-thiadiazol-3-yl)propanoic acid?
The InChIKey is MOENYJJXSOYVLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O3S/c1-3(5(9)10)4-7-6(11-2)12-8-4/h3H,1-2H3,(H,9,10).
What are the key properties of 2-(5-methoxy-1,2,4-thiadiazol-3-yl)propanoic acid?
2-(5-methoxy-1,2,4-thiadiazol-3-yl)propanoic acid has a molecular weight of 188.21 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-1,2,4-thiadiazol-3-yl)propanoic acid is sourced from PubChem (CID 82655769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).