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

C12H13N3OS — CID 794578

IUPACN-(5-benzyl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCCC(=O)Nc1nnc(Cc2ccccc2)s1
InChIInChI=1S/C12H13N3OS/c1-2-10(16)13-12-15-14-11(17-12)8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H,13,15,16)
InChIKeyUAAJNBUPQKMFNS-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.48
Rot. Bonds4

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

N-(5-benzyl-1,3,4-thiadiazol-2-yl)propanamide (PubChem CID 794578) has the molecular formula C12H13N3OS and a molecular weight of 247.32 g/mol. Its IUPAC name is N-(5-benzyl-1,3,4-thiadiazol-2-yl)propanamide.

Molecular Properties

Compound NameN-(5-benzyl-1,3,4-thiadiazol-2-yl)propanamide
PubChem CID794578
Molecular FormulaC12H13N3OS
Molecular Weight247.32 g/mol
Exact Mass247.08
IUPAC NameN-(5-benzyl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCCC(=O)Nc1nnc(Cc2ccccc2)s1
InChIInChI=1S/C12H13N3OS/c1-2-10(16)13-12-15-14-11(17-12)8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H,13,15,16)
InChIKeyUAAJNBUPQKMFNS-UHFFFAOYSA-N
XLogP2.48
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(5-benzyl-1,3,4-thiadiazol-2-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-phenylacetamide;ethane
CID 123768495
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-ethoxyacetamide;hydrochloride
CID 163328991
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-(4-ethylphenyl)propanamide
CID 18272399
4-amino-N-(5-benzyl-1,3,4-thiadiazol-2-yl)butanamide
CID 39182812
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-N'-hydroxyoctanediamide
CID 56944887
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-(4-methylphenoxy)acetamide
CID 8696893
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-(2,6-dimethylphenoxy)acetamide
CID 7943874
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-(4-ethoxyphenoxy)butanamide
CID 7943879
N-[5-[2-[5-(propanoylamino)-1,3,4-thiadiazol-2-yl]ethyl]-1,3,4-thiadiazol-2-yl]propanamide
CID 2039486
N-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide
CID 23819133
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 47004621
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-(4-fluorophenoxy)acetamide
CID 7729168

Frequently Asked Questions

What is the IUPAC name of N-(5-benzyl-1,3,4-thiadiazol-2-yl)propanamide?
The IUPAC name of N-(5-benzyl-1,3,4-thiadiazol-2-yl)propanamide (CID 794578) is N-(5-benzyl-1,3,4-thiadiazol-2-yl)propanamide.
What is the SMILES notation for N-(5-benzyl-1,3,4-thiadiazol-2-yl)propanamide?
The canonical SMILES for N-(5-benzyl-1,3,4-thiadiazol-2-yl)propanamide is CCC(=O)Nc1nnc(Cc2ccccc2)s1.
What is the InChIKey of N-(5-benzyl-1,3,4-thiadiazol-2-yl)propanamide?
The InChIKey is UAAJNBUPQKMFNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3OS/c1-2-10(16)13-12-15-14-11(17-12)8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H,13,15,16).
What are the key properties of N-(5-benzyl-1,3,4-thiadiazol-2-yl)propanamide?
N-(5-benzyl-1,3,4-thiadiazol-2-yl)propanamide has a molecular weight of 247.32 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzyl-1,3,4-thiadiazol-2-yl)propanamide is sourced from PubChem (CID 794578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).