N-(3-methyl-1,2,4-thiadiazol-5-yl)-3-sulfanylpropanamide

C6H9N3OS2 — CID 107035956

IUPACN-(3-methyl-1,2,4-thiadiazol-5-yl)-3-sulfanylpropanamide
SMILESCc1nsc(NC(=O)CCS)n1
InChIInChI=1S/C6H9N3OS2/c1-4-7-6(12-9-4)8-5(10)2-3-11/h11H,2-3H2,1H3,(H,7,8,9,10)
InChIKeyAOUJTMXURUSQPG-UHFFFAOYSA-N
MW203.29 g/mol
LogP1.10
Rot. Bonds3

About N-(3-methyl-1,2,4-thiadiazol-5-yl)-3-sulfanylpropanamide

N-(3-methyl-1,2,4-thiadiazol-5-yl)-3-sulfanylpropanamide (PubChem CID 107035956) has the molecular formula C6H9N3OS2 and a molecular weight of 203.29 g/mol. Its IUPAC name is N-(3-methyl-1,2,4-thiadiazol-5-yl)-3-sulfanylpropanamide.

Molecular Properties

Compound NameN-(3-methyl-1,2,4-thiadiazol-5-yl)-3-sulfanylpropanamide
PubChem CID107035956
Molecular FormulaC6H9N3OS2
Molecular Weight203.29 g/mol
Exact Mass203.02
IUPAC NameN-(3-methyl-1,2,4-thiadiazol-5-yl)-3-sulfanylpropanamide
SMILESCc1nsc(NC(=O)CCS)n1
InChIInChI=1S/C6H9N3OS2/c1-4-7-6(12-9-4)8-5(10)2-3-11/h11H,2-3H2,1H3,(H,7,8,9,10)
InChIKeyAOUJTMXURUSQPG-UHFFFAOYSA-N
XLogP1.10
TPSA54.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-1,2,4-thiadiazol-5-yl)-3-sulfanylpropanamide?
The IUPAC name of N-(3-methyl-1,2,4-thiadiazol-5-yl)-3-sulfanylpropanamide (CID 107035956) is N-(3-methyl-1,2,4-thiadiazol-5-yl)-3-sulfanylpropanamide.
What is the SMILES notation for N-(3-methyl-1,2,4-thiadiazol-5-yl)-3-sulfanylpropanamide?
The canonical SMILES for N-(3-methyl-1,2,4-thiadiazol-5-yl)-3-sulfanylpropanamide is Cc1nsc(NC(=O)CCS)n1.
What is the InChIKey of N-(3-methyl-1,2,4-thiadiazol-5-yl)-3-sulfanylpropanamide?
The InChIKey is AOUJTMXURUSQPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3OS2/c1-4-7-6(12-9-4)8-5(10)2-3-11/h11H,2-3H2,1H3,(H,7,8,9,10).
What are the key properties of N-(3-methyl-1,2,4-thiadiazol-5-yl)-3-sulfanylpropanamide?
N-(3-methyl-1,2,4-thiadiazol-5-yl)-3-sulfanylpropanamide has a molecular weight of 203.29 g/mol, XLogP of 1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1,2,4-thiadiazol-5-yl)-3-sulfanylpropanamide is sourced from PubChem (CID 107035956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).