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

C6H8N2O3S2 — CID 103224342

IUPAC3-methoxy-2-(1,2,4-thiadiazol-5-ylsulfanyl)propanoic acid
SMILESCOCC(Sc1ncns1)C(=O)O
InChIInChI=1S/C6H8N2O3S2/c1-11-2-4(5(9)10)12-6-7-3-8-13-6/h3-4H,2H2,1H3,(H,9,10)
InChIKeyUSBLUNAVPYHPPT-UHFFFAOYSA-N
MW220.27 g/mol
LogP0.73
Rot. Bonds5

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

3-methoxy-2-(1,2,4-thiadiazol-5-ylsulfanyl)propanoic acid (PubChem CID 103224342) has the molecular formula C6H8N2O3S2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 3-methoxy-2-(1,2,4-thiadiazol-5-ylsulfanyl)propanoic acid.

Molecular Properties

Compound Name3-methoxy-2-(1,2,4-thiadiazol-5-ylsulfanyl)propanoic acid
PubChem CID103224342
Molecular FormulaC6H8N2O3S2
Molecular Weight220.27 g/mol
Exact Mass220.00
IUPAC Name3-methoxy-2-(1,2,4-thiadiazol-5-ylsulfanyl)propanoic acid
SMILESCOCC(Sc1ncns1)C(=O)O
InChIInChI=1S/C6H8N2O3S2/c1-11-2-4(5(9)10)12-6-7-3-8-13-6/h3-4H,2H2,1H3,(H,9,10)
InChIKeyUSBLUNAVPYHPPT-UHFFFAOYSA-N
XLogP0.73
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-(1,2,4-thiadiazol-5-ylsulfanyl)propanoic acid?
The IUPAC name of 3-methoxy-2-(1,2,4-thiadiazol-5-ylsulfanyl)propanoic acid (CID 103224342) is 3-methoxy-2-(1,2,4-thiadiazol-5-ylsulfanyl)propanoic acid.
What is the SMILES notation for 3-methoxy-2-(1,2,4-thiadiazol-5-ylsulfanyl)propanoic acid?
The canonical SMILES for 3-methoxy-2-(1,2,4-thiadiazol-5-ylsulfanyl)propanoic acid is COCC(Sc1ncns1)C(=O)O.
What is the InChIKey of 3-methoxy-2-(1,2,4-thiadiazol-5-ylsulfanyl)propanoic acid?
The InChIKey is USBLUNAVPYHPPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O3S2/c1-11-2-4(5(9)10)12-6-7-3-8-13-6/h3-4H,2H2,1H3,(H,9,10).
What are the key properties of 3-methoxy-2-(1,2,4-thiadiazol-5-ylsulfanyl)propanoic acid?
3-methoxy-2-(1,2,4-thiadiazol-5-ylsulfanyl)propanoic acid has a molecular weight of 220.27 g/mol, XLogP of 0.73, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-(1,2,4-thiadiazol-5-ylsulfanyl)propanoic acid is sourced from PubChem (CID 103224342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).