3-methyl-N-(3-methylsulfinylpropyl)-1,2,4-thiadiazol-5-amine

C7H13N3OS2 — CID 115657519

IUPAC3-methyl-N-(3-methylsulfinylpropyl)-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(NCCCS(C)=O)n1
InChIInChI=1S/C7H13N3OS2/c1-6-9-7(12-10-6)8-4-3-5-13(2)11/h3-5H2,1-2H3,(H,8,9,10)
InChIKeyMNSXRQOKEODETE-UHFFFAOYSA-N
MW219.33 g/mol
LogP1.03
Rot. Bonds5

About 3-methyl-N-(3-methylsulfinylpropyl)-1,2,4-thiadiazol-5-amine

3-methyl-N-(3-methylsulfinylpropyl)-1,2,4-thiadiazol-5-amine (PubChem CID 115657519) has the molecular formula C7H13N3OS2 and a molecular weight of 219.33 g/mol. Its IUPAC name is 3-methyl-N-(3-methylsulfinylpropyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-methyl-N-(3-methylsulfinylpropyl)-1,2,4-thiadiazol-5-amine
PubChem CID115657519
Molecular FormulaC7H13N3OS2
Molecular Weight219.33 g/mol
Exact Mass219.05
IUPAC Name3-methyl-N-(3-methylsulfinylpropyl)-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(NCCCS(C)=O)n1
InChIInChI=1S/C7H13N3OS2/c1-6-9-7(12-10-6)8-4-3-5-13(2)11/h3-5H2,1-2H3,(H,8,9,10)
InChIKeyMNSXRQOKEODETE-UHFFFAOYSA-N
XLogP1.03
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-methyl-N-(3-methylsulfinylpropyl)-1,2,4-thiadiazol-5-amine 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 3-methyl-N-(3-methylsulfinylpropyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-methyl-N-(3-methylsulfinylpropyl)-1,2,4-thiadiazol-5-amine (CID 115657519) is 3-methyl-N-(3-methylsulfinylpropyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-methyl-N-(3-methylsulfinylpropyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-methyl-N-(3-methylsulfinylpropyl)-1,2,4-thiadiazol-5-amine is Cc1nsc(NCCCS(C)=O)n1.
What is the InChIKey of 3-methyl-N-(3-methylsulfinylpropyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is MNSXRQOKEODETE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3OS2/c1-6-9-7(12-10-6)8-4-3-5-13(2)11/h3-5H2,1-2H3,(H,8,9,10).
What are the key properties of 3-methyl-N-(3-methylsulfinylpropyl)-1,2,4-thiadiazol-5-amine?
3-methyl-N-(3-methylsulfinylpropyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 219.33 g/mol, XLogP of 1.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(3-methylsulfinylpropyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 115657519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).