3-methylsulfanyl-N-(thiadiazol-4-yl)propanamide

C6H9N3OS2 — CID 131207264

IUPAC3-methylsulfanyl-N-(thiadiazol-4-yl)propanamide
SMILESCSCCC(=O)Nc1csnn1
InChIInChI=1S/C6H9N3OS2/c1-11-3-2-6(10)7-5-4-12-9-8-5/h4H,2-3H2,1H3,(H,7,10)
InChIKeyDOISKTDLNVTKCQ-UHFFFAOYSA-N
MW203.29 g/mol
LogP1.23
Rot. Bonds4

About 3-methylsulfanyl-N-(thiadiazol-4-yl)propanamide

3-methylsulfanyl-N-(thiadiazol-4-yl)propanamide (PubChem CID 131207264) has the molecular formula C6H9N3OS2 and a molecular weight of 203.29 g/mol. Its IUPAC name is 3-methylsulfanyl-N-(thiadiazol-4-yl)propanamide.

Molecular Properties

Compound Name3-methylsulfanyl-N-(thiadiazol-4-yl)propanamide
PubChem CID131207264
Molecular FormulaC6H9N3OS2
Molecular Weight203.29 g/mol
Exact Mass203.02
IUPAC Name3-methylsulfanyl-N-(thiadiazol-4-yl)propanamide
SMILESCSCCC(=O)Nc1csnn1
InChIInChI=1S/C6H9N3OS2/c1-11-3-2-6(10)7-5-4-12-9-8-5/h4H,2-3H2,1H3,(H,7,10)
InChIKeyDOISKTDLNVTKCQ-UHFFFAOYSA-N
XLogP1.23
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-methylsulfanyl-N-(thiadiazol-4-yl)propanamide 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-methylsulfanyl-N-(thiadiazol-4-yl)propanamide?
The IUPAC name of 3-methylsulfanyl-N-(thiadiazol-4-yl)propanamide (CID 131207264) is 3-methylsulfanyl-N-(thiadiazol-4-yl)propanamide.
What is the SMILES notation for 3-methylsulfanyl-N-(thiadiazol-4-yl)propanamide?
The canonical SMILES for 3-methylsulfanyl-N-(thiadiazol-4-yl)propanamide is CSCCC(=O)Nc1csnn1.
What is the InChIKey of 3-methylsulfanyl-N-(thiadiazol-4-yl)propanamide?
The InChIKey is DOISKTDLNVTKCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3OS2/c1-11-3-2-6(10)7-5-4-12-9-8-5/h4H,2-3H2,1H3,(H,7,10).
What are the key properties of 3-methylsulfanyl-N-(thiadiazol-4-yl)propanamide?
3-methylsulfanyl-N-(thiadiazol-4-yl)propanamide has a molecular weight of 203.29 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanyl-N-(thiadiazol-4-yl)propanamide is sourced from PubChem (CID 131207264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).