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

C13H16N4OS — CID 39182812

IUPAC4-amino-N-(5-benzyl-1,3,4-thiadiazol-2-yl)butanamide
SMILESNCCCC(=O)Nc1nnc(Cc2ccccc2)s1
InChIInChI=1S/C13H16N4OS/c14-8-4-7-11(18)15-13-17-16-12(19-13)9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9,14H2,(H,15,17,18)
InChIKeyVVPCZBHPWMCLDP-UHFFFAOYSA-N
MW276.37 g/mol
LogP1.81
Rot. Bonds6

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

4-amino-N-(5-benzyl-1,3,4-thiadiazol-2-yl)butanamide (PubChem CID 39182812) has the molecular formula C13H16N4OS and a molecular weight of 276.37 g/mol. Its IUPAC name is 4-amino-N-(5-benzyl-1,3,4-thiadiazol-2-yl)butanamide.

Molecular Properties

Compound Name4-amino-N-(5-benzyl-1,3,4-thiadiazol-2-yl)butanamide
PubChem CID39182812
Molecular FormulaC13H16N4OS
Molecular Weight276.37 g/mol
Exact Mass276.10
IUPAC Name4-amino-N-(5-benzyl-1,3,4-thiadiazol-2-yl)butanamide
SMILESNCCCC(=O)Nc1nnc(Cc2ccccc2)s1
InChIInChI=1S/C13H16N4OS/c14-8-4-7-11(18)15-13-17-16-12(19-13)9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9,14H2,(H,15,17,18)
InChIKeyVVPCZBHPWMCLDP-UHFFFAOYSA-N
XLogP1.81
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.37
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-benzyl-1,3,4-thiadiazol-2-yl)-N'-hydroxyoctanediamide
CID 56944887
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-phenylacetamide;ethane
CID 123768495
N-(5-benzyl-1,3,4-thiadiazol-2-yl)propanamide
CID 794578
7-amino-N-[5-[(3-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]heptanamide;hydrochloride
CID 119807008
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-(4-ethoxyphenoxy)butanamide
CID 7943879
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-(4-ethylphenyl)propanamide
CID 18272399
N'-hydroxy-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]hexanediamide
CID 56944798
N-[5-(aminomethyl)-1,3,4-thiadiazol-2-yl]-4-phenoxybutanamide
CID 82176268
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 135886968
N-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide
CID 23819133
N-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]pentanamide
CID 3120553
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-ethoxyacetamide;hydrochloride
CID 163328991

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(5-benzyl-1,3,4-thiadiazol-2-yl)butanamide?
The IUPAC name of 4-amino-N-(5-benzyl-1,3,4-thiadiazol-2-yl)butanamide (CID 39182812) is 4-amino-N-(5-benzyl-1,3,4-thiadiazol-2-yl)butanamide.
What is the SMILES notation for 4-amino-N-(5-benzyl-1,3,4-thiadiazol-2-yl)butanamide?
The canonical SMILES for 4-amino-N-(5-benzyl-1,3,4-thiadiazol-2-yl)butanamide is NCCCC(=O)Nc1nnc(Cc2ccccc2)s1.
What is the InChIKey of 4-amino-N-(5-benzyl-1,3,4-thiadiazol-2-yl)butanamide?
The InChIKey is VVPCZBHPWMCLDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS/c14-8-4-7-11(18)15-13-17-16-12(19-13)9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9,14H2,(H,15,17,18).
What are the key properties of 4-amino-N-(5-benzyl-1,3,4-thiadiazol-2-yl)butanamide?
4-amino-N-(5-benzyl-1,3,4-thiadiazol-2-yl)butanamide has a molecular weight of 276.37 g/mol, XLogP of 1.81, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(5-benzyl-1,3,4-thiadiazol-2-yl)butanamide is sourced from PubChem (CID 39182812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).