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

C6H8N2O2S2 — CID 43234931

IUPAC2-(1,3,4-thiadiazol-2-ylsulfanyl)butanoic acid
SMILESCCC(Sc1nncs1)C(=O)O
InChIInChI=1S/C6H8N2O2S2/c1-2-4(5(9)10)12-6-8-7-3-11-6/h3-4H,2H2,1H3,(H,9,10)
InChIKeyXSOBQHPNIKUPPM-UHFFFAOYSA-N
MW204.28 g/mol
LogP1.49
Rot. Bonds4

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

2-(1,3,4-thiadiazol-2-ylsulfanyl)butanoic acid (PubChem CID 43234931) has the molecular formula C6H8N2O2S2 and a molecular weight of 204.28 g/mol. Its IUPAC name is 2-(1,3,4-thiadiazol-2-ylsulfanyl)butanoic acid.

Molecular Properties

Compound Name2-(1,3,4-thiadiazol-2-ylsulfanyl)butanoic acid
PubChem CID43234931
Molecular FormulaC6H8N2O2S2
Molecular Weight204.28 g/mol
Exact Mass204.00
IUPAC Name2-(1,3,4-thiadiazol-2-ylsulfanyl)butanoic acid
SMILESCCC(Sc1nncs1)C(=O)O
InChIInChI=1S/C6H8N2O2S2/c1-2-4(5(9)10)12-6-8-7-3-11-6/h3-4H,2H2,1H3,(H,9,10)
InChIKeyXSOBQHPNIKUPPM-UHFFFAOYSA-N
XLogP1.49
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
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

Analyze 2-(1,3,4-thiadiazol-2-ylsulfanyl)butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1,3,4-thiadiazol-2-ylsulfanyl)butanoic acid?
The IUPAC name of 2-(1,3,4-thiadiazol-2-ylsulfanyl)butanoic acid (CID 43234931) is 2-(1,3,4-thiadiazol-2-ylsulfanyl)butanoic acid.
What is the SMILES notation for 2-(1,3,4-thiadiazol-2-ylsulfanyl)butanoic acid?
The canonical SMILES for 2-(1,3,4-thiadiazol-2-ylsulfanyl)butanoic acid is CCC(Sc1nncs1)C(=O)O.
What is the InChIKey of 2-(1,3,4-thiadiazol-2-ylsulfanyl)butanoic acid?
The InChIKey is XSOBQHPNIKUPPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2S2/c1-2-4(5(9)10)12-6-8-7-3-11-6/h3-4H,2H2,1H3,(H,9,10).
What are the key properties of 2-(1,3,4-thiadiazol-2-ylsulfanyl)butanoic acid?
2-(1,3,4-thiadiazol-2-ylsulfanyl)butanoic acid has a molecular weight of 204.28 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3,4-thiadiazol-2-ylsulfanyl)butanoic acid is sourced from PubChem (CID 43234931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).