2-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetic acid

C5H6N2O2S2 — CID 589593

IUPAC2-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetic acid
SMILESCc1nsc(SCC(=O)O)n1
InChIInChI=1S/C5H6N2O2S2/c1-3-6-5(11-7-3)10-2-4(8)9/h2H2,1H3,(H,8,9)
InChIKeyHRSHKJAXWRORDL-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.02
Rot. Bonds3

About 2-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetic acid

2-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetic acid (PubChem CID 589593) has the molecular formula C5H6N2O2S2 and a molecular weight of 190.25 g/mol. Its IUPAC name is 2-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetic acid.

Molecular Properties

Compound Name2-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetic acid
PubChem CID589593
Molecular FormulaC5H6N2O2S2
Molecular Weight190.25 g/mol
Exact Mass189.99
IUPAC Name2-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetic acid
SMILESCc1nsc(SCC(=O)O)n1
InChIInChI=1S/C5H6N2O2S2/c1-3-6-5(11-7-3)10-2-4(8)9/h2H2,1H3,(H,8,9)
InChIKeyHRSHKJAXWRORDL-UHFFFAOYSA-N
XLogP1.02
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetic 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-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetic acid?
The IUPAC name of 2-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetic acid (CID 589593) is 2-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetic acid.
What is the SMILES notation for 2-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetic acid?
The canonical SMILES for 2-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetic acid is Cc1nsc(SCC(=O)O)n1.
What is the InChIKey of 2-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetic acid?
The InChIKey is HRSHKJAXWRORDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O2S2/c1-3-6-5(11-7-3)10-2-4(8)9/h2H2,1H3,(H,8,9).
What are the key properties of 2-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetic acid?
2-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetic acid has a molecular weight of 190.25 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetic acid is sourced from PubChem (CID 589593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).