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

C6H9N3OS — CID 20719845

IUPACN-(3-methyl-1,2,4-thiadiazol-5-yl)propanamide
SMILESCCC(=O)Nc1nc(C)ns1
InChIInChI=1S/C6H9N3OS/c1-3-5(10)8-6-7-4(2)9-11-6/h3H2,1-2H3,(H,7,8,9,10)
InChIKeyLDJUPXNORPVNKE-UHFFFAOYSA-N
MW171.22 g/mol
LogP1.20
Rot. Bonds2

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

N-(3-methyl-1,2,4-thiadiazol-5-yl)propanamide (PubChem CID 20719845) has the molecular formula C6H9N3OS and a molecular weight of 171.22 g/mol. Its IUPAC name is N-(3-methyl-1,2,4-thiadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-(3-methyl-1,2,4-thiadiazol-5-yl)propanamide
PubChem CID20719845
Molecular FormulaC6H9N3OS
Molecular Weight171.22 g/mol
Exact Mass171.05
IUPAC NameN-(3-methyl-1,2,4-thiadiazol-5-yl)propanamide
SMILESCCC(=O)Nc1nc(C)ns1
InChIInChI=1S/C6H9N3OS/c1-3-5(10)8-6-7-4(2)9-11-6/h3H2,1-2H3,(H,7,8,9,10)
InChIKeyLDJUPXNORPVNKE-UHFFFAOYSA-N
XLogP1.20
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.22
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-1,2,4-thiadiazol-5-yl)propanamide?
The IUPAC name of N-(3-methyl-1,2,4-thiadiazol-5-yl)propanamide (CID 20719845) is N-(3-methyl-1,2,4-thiadiazol-5-yl)propanamide.
What is the SMILES notation for N-(3-methyl-1,2,4-thiadiazol-5-yl)propanamide?
The canonical SMILES for N-(3-methyl-1,2,4-thiadiazol-5-yl)propanamide is CCC(=O)Nc1nc(C)ns1.
What is the InChIKey of N-(3-methyl-1,2,4-thiadiazol-5-yl)propanamide?
The InChIKey is LDJUPXNORPVNKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3OS/c1-3-5(10)8-6-7-4(2)9-11-6/h3H2,1-2H3,(H,7,8,9,10).
What are the key properties of N-(3-methyl-1,2,4-thiadiazol-5-yl)propanamide?
N-(3-methyl-1,2,4-thiadiazol-5-yl)propanamide has a molecular weight of 171.22 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1,2,4-thiadiazol-5-yl)propanamide is sourced from PubChem (CID 20719845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).