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

C7H11N3OS — CID 5113836

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCCC(=O)Nc1nnc(CC)s1
InChIInChI=1S/C7H11N3OS/c1-3-5(11)8-7-10-9-6(4-2)12-7/h3-4H2,1-2H3,(H,8,10,11)
InChIKeyBVQWQLKHBYNOIX-UHFFFAOYSA-N
MW185.25 g/mol
LogP1.45
Rot. Bonds3

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

N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide (PubChem CID 5113836) has the molecular formula C7H11N3OS and a molecular weight of 185.25 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide
PubChem CID5113836
Molecular FormulaC7H11N3OS
Molecular Weight185.25 g/mol
Exact Mass185.06
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCCC(=O)Nc1nnc(CC)s1
InChIInChI=1S/C7H11N3OS/c1-3-5(11)8-7-10-9-6(4-2)12-7/h3-4H2,1-2H3,(H,8,10,11)
InChIKeyBVQWQLKHBYNOIX-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-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide (CID 5113836) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide is CCC(=O)Nc1nnc(CC)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide?
The InChIKey is BVQWQLKHBYNOIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3OS/c1-3-5(11)8-7-10-9-6(4-2)12-7/h3-4H2,1-2H3,(H,8,10,11).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide?
N-(5-ethyl-1,3,4-thiadiazol-2-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-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide is sourced from PubChem (CID 5113836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).