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

C7H11N3OS — CID 130009372

IUPACN-(3-ethyl-1,2,4-thiadiazol-5-yl)propanamide
SMILESCCC(=O)Nc1nc(CC)ns1
InChIInChI=1S/C7H11N3OS/c1-3-5-8-7(12-10-5)9-6(11)4-2/h3-4H2,1-2H3,(H,8,9,10,11)
InChIKeyYIKNEXXDGBGWHY-UHFFFAOYSA-N
MW185.25 g/mol
LogP1.45
Rot. Bonds3

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

N-(3-ethyl-1,2,4-thiadiazol-5-yl)propanamide (PubChem CID 130009372) has the molecular formula C7H11N3OS and a molecular weight of 185.25 g/mol. Its IUPAC name is N-(3-ethyl-1,2,4-thiadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-(3-ethyl-1,2,4-thiadiazol-5-yl)propanamide
PubChem CID130009372
Molecular FormulaC7H11N3OS
Molecular Weight185.25 g/mol
Exact Mass185.06
IUPAC NameN-(3-ethyl-1,2,4-thiadiazol-5-yl)propanamide
SMILESCCC(=O)Nc1nc(CC)ns1
InChIInChI=1S/C7H11N3OS/c1-3-5-8-7(12-10-5)9-6(11)4-2/h3-4H2,1-2H3,(H,8,9,10,11)
InChIKeyYIKNEXXDGBGWHY-UHFFFAOYSA-N
XLogP1.45
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-1,2,4-thiadiazol-5-yl)propanamide?
The IUPAC name of N-(3-ethyl-1,2,4-thiadiazol-5-yl)propanamide (CID 130009372) is N-(3-ethyl-1,2,4-thiadiazol-5-yl)propanamide.
What is the SMILES notation for N-(3-ethyl-1,2,4-thiadiazol-5-yl)propanamide?
The canonical SMILES for N-(3-ethyl-1,2,4-thiadiazol-5-yl)propanamide is CCC(=O)Nc1nc(CC)ns1.
What is the InChIKey of N-(3-ethyl-1,2,4-thiadiazol-5-yl)propanamide?
The InChIKey is YIKNEXXDGBGWHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3OS/c1-3-5-8-7(12-10-5)9-6(11)4-2/h3-4H2,1-2H3,(H,8,9,10,11).
What are the key properties of N-(3-ethyl-1,2,4-thiadiazol-5-yl)propanamide?
N-(3-ethyl-1,2,4-thiadiazol-5-yl)propanamide has a molecular weight of 185.25 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-1,2,4-thiadiazol-5-yl)propanamide is sourced from PubChem (CID 130009372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).