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

C6H9N3OS — CID 67187422

IUPAC3-(3-methyl-1,2,4-thiadiazol-5-yl)propanamide
SMILESCc1nsc(CCC(N)=O)n1
InChIInChI=1S/C6H9N3OS/c1-4-8-6(11-9-4)3-2-5(7)10/h2-3H2,1H3,(H2,7,10)
InChIKeyPSLXQKJJIUSFOL-UHFFFAOYSA-N
MW171.22 g/mol
LogP0.26
Rot. Bonds3

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

3-(3-methyl-1,2,4-thiadiazol-5-yl)propanamide (PubChem CID 67187422) has the molecular formula C6H9N3OS and a molecular weight of 171.22 g/mol. Its IUPAC name is 3-(3-methyl-1,2,4-thiadiazol-5-yl)propanamide.

Molecular Properties

Compound Name3-(3-methyl-1,2,4-thiadiazol-5-yl)propanamide
PubChem CID67187422
Molecular FormulaC6H9N3OS
Molecular Weight171.22 g/mol
Exact Mass171.05
IUPAC Name3-(3-methyl-1,2,4-thiadiazol-5-yl)propanamide
SMILESCc1nsc(CCC(N)=O)n1
InChIInChI=1S/C6H9N3OS/c1-4-8-6(11-9-4)3-2-5(7)10/h2-3H2,1H3,(H2,7,10)
InChIKeyPSLXQKJJIUSFOL-UHFFFAOYSA-N
XLogP0.26
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.22
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-1,2,4-thiadiazol-5-yl)propanamide?
The IUPAC name of 3-(3-methyl-1,2,4-thiadiazol-5-yl)propanamide (CID 67187422) is 3-(3-methyl-1,2,4-thiadiazol-5-yl)propanamide.
What is the SMILES notation for 3-(3-methyl-1,2,4-thiadiazol-5-yl)propanamide?
The canonical SMILES for 3-(3-methyl-1,2,4-thiadiazol-5-yl)propanamide is Cc1nsc(CCC(N)=O)n1.
What is the InChIKey of 3-(3-methyl-1,2,4-thiadiazol-5-yl)propanamide?
The InChIKey is PSLXQKJJIUSFOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3OS/c1-4-8-6(11-9-4)3-2-5(7)10/h2-3H2,1H3,(H2,7,10).
What are the key properties of 3-(3-methyl-1,2,4-thiadiazol-5-yl)propanamide?
3-(3-methyl-1,2,4-thiadiazol-5-yl)propanamide has a molecular weight of 171.22 g/mol, XLogP of 0.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyl-1,2,4-thiadiazol-5-yl)propanamide is sourced from PubChem (CID 67187422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).