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

C7H10N2O2S2 — CID 58752963

IUPACmethyl 3-[(5-methyl-1,2,4-thiadiazol-3-yl)sulfanyl]propanoate
SMILESCOC(=O)CCSc1nsc(C)n1
InChIInChI=1S/C7H10N2O2S2/c1-5-8-7(9-13-5)12-4-3-6(10)11-2/h3-4H2,1-2H3
InChIKeyUIYSYVUUYSLEPF-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.50
Rot. Bonds4

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

methyl 3-[(5-methyl-1,2,4-thiadiazol-3-yl)sulfanyl]propanoate (PubChem CID 58752963) has the molecular formula C7H10N2O2S2 and a molecular weight of 218.30 g/mol. Its IUPAC name is methyl 3-[(5-methyl-1,2,4-thiadiazol-3-yl)sulfanyl]propanoate.

Molecular Properties

Compound Namemethyl 3-[(5-methyl-1,2,4-thiadiazol-3-yl)sulfanyl]propanoate
PubChem CID58752963
Molecular FormulaC7H10N2O2S2
Molecular Weight218.30 g/mol
Exact Mass218.02
IUPAC Namemethyl 3-[(5-methyl-1,2,4-thiadiazol-3-yl)sulfanyl]propanoate
SMILESCOC(=O)CCSc1nsc(C)n1
InChIInChI=1S/C7H10N2O2S2/c1-5-8-7(9-13-5)12-4-3-6(10)11-2/h3-4H2,1-2H3
InChIKeyUIYSYVUUYSLEPF-UHFFFAOYSA-N
XLogP1.50
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 3-[(5-methyl-1,2,4-thiadiazol-3-yl)sulfanyl]propanoate 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 methyl 3-[(5-methyl-1,2,4-thiadiazol-3-yl)sulfanyl]propanoate?
The IUPAC name of methyl 3-[(5-methyl-1,2,4-thiadiazol-3-yl)sulfanyl]propanoate (CID 58752963) is methyl 3-[(5-methyl-1,2,4-thiadiazol-3-yl)sulfanyl]propanoate.
What is the SMILES notation for methyl 3-[(5-methyl-1,2,4-thiadiazol-3-yl)sulfanyl]propanoate?
The canonical SMILES for methyl 3-[(5-methyl-1,2,4-thiadiazol-3-yl)sulfanyl]propanoate is COC(=O)CCSc1nsc(C)n1.
What is the InChIKey of methyl 3-[(5-methyl-1,2,4-thiadiazol-3-yl)sulfanyl]propanoate?
The InChIKey is UIYSYVUUYSLEPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2S2/c1-5-8-7(9-13-5)12-4-3-6(10)11-2/h3-4H2,1-2H3.
What are the key properties of methyl 3-[(5-methyl-1,2,4-thiadiazol-3-yl)sulfanyl]propanoate?
methyl 3-[(5-methyl-1,2,4-thiadiazol-3-yl)sulfanyl]propanoate has a molecular weight of 218.30 g/mol, XLogP of 1.50, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(5-methyl-1,2,4-thiadiazol-3-yl)sulfanyl]propanoate is sourced from PubChem (CID 58752963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).