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

C5H6N2O2S2 — CID 12885433

IUPAC3-(1,3,4-thiadiazol-2-ylsulfanyl)propanoic acid
SMILESO=C(O)CCSc1nncs1
InChIInChI=1S/C5H6N2O2S2/c8-4(9)1-2-10-5-7-6-3-11-5/h3H,1-2H2,(H,8,9)
InChIKeyMHGYNPPIUJBALJ-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.10
Rot. Bonds4

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

3-(1,3,4-thiadiazol-2-ylsulfanyl)propanoic acid (PubChem CID 12885433) has the molecular formula C5H6N2O2S2 and a molecular weight of 190.25 g/mol. Its IUPAC name is 3-(1,3,4-thiadiazol-2-ylsulfanyl)propanoic acid.

Molecular Properties

Compound Name3-(1,3,4-thiadiazol-2-ylsulfanyl)propanoic acid
PubChem CID12885433
Molecular FormulaC5H6N2O2S2
Molecular Weight190.25 g/mol
Exact Mass189.99
IUPAC Name3-(1,3,4-thiadiazol-2-ylsulfanyl)propanoic acid
SMILESO=C(O)CCSc1nncs1
InChIInChI=1S/C5H6N2O2S2/c8-4(9)1-2-10-5-7-6-3-11-5/h3H,1-2H2,(H,8,9)
InChIKeyMHGYNPPIUJBALJ-UHFFFAOYSA-N
XLogP1.10
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3,4-thiadiazol-2-ylsulfanyl)propanoic acid?
The IUPAC name of 3-(1,3,4-thiadiazol-2-ylsulfanyl)propanoic acid (CID 12885433) is 3-(1,3,4-thiadiazol-2-ylsulfanyl)propanoic acid.
What is the SMILES notation for 3-(1,3,4-thiadiazol-2-ylsulfanyl)propanoic acid?
The canonical SMILES for 3-(1,3,4-thiadiazol-2-ylsulfanyl)propanoic acid is O=C(O)CCSc1nncs1.
What is the InChIKey of 3-(1,3,4-thiadiazol-2-ylsulfanyl)propanoic acid?
The InChIKey is MHGYNPPIUJBALJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O2S2/c8-4(9)1-2-10-5-7-6-3-11-5/h3H,1-2H2,(H,8,9).
What are the key properties of 3-(1,3,4-thiadiazol-2-ylsulfanyl)propanoic acid?
3-(1,3,4-thiadiazol-2-ylsulfanyl)propanoic acid has a molecular weight of 190.25 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3,4-thiadiazol-2-ylsulfanyl)propanoic acid is sourced from PubChem (CID 12885433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).