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

C6H8N2O2S2 — CID 78969518

IUPAC2-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanoic acid
SMILESCC(C)(Sc1nncs1)C(=O)O
InChIInChI=1S/C6H8N2O2S2/c1-6(2,4(9)10)12-5-8-7-3-11-5/h3H,1-2H3,(H,9,10)
InChIKeyGFQNRARPAPZYBA-UHFFFAOYSA-N
MW204.28 g/mol
LogP1.49
Rot. Bonds3

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

2-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanoic acid (PubChem CID 78969518) has the molecular formula C6H8N2O2S2 and a molecular weight of 204.28 g/mol. Its IUPAC name is 2-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanoic acid.

Molecular Properties

Compound Name2-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanoic acid
PubChem CID78969518
Molecular FormulaC6H8N2O2S2
Molecular Weight204.28 g/mol
Exact Mass204.00
IUPAC Name2-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanoic acid
SMILESCC(C)(Sc1nncs1)C(=O)O
InChIInChI=1S/C6H8N2O2S2/c1-6(2,4(9)10)12-5-8-7-3-11-5/h3H,1-2H3,(H,9,10)
InChIKeyGFQNRARPAPZYBA-UHFFFAOYSA-N
XLogP1.49
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.28
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanoic acid?
The IUPAC name of 2-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanoic acid (CID 78969518) is 2-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanoic acid.
What is the SMILES notation for 2-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanoic acid?
The canonical SMILES for 2-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanoic acid is CC(C)(Sc1nncs1)C(=O)O.
What is the InChIKey of 2-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanoic acid?
The InChIKey is GFQNRARPAPZYBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2S2/c1-6(2,4(9)10)12-5-8-7-3-11-5/h3H,1-2H3,(H,9,10).
What are the key properties of 2-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanoic acid?
2-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanoic acid has a molecular weight of 204.28 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanoic acid is sourced from PubChem (CID 78969518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).