N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetamide

C20H25N5O3S — CID 47004622

IUPACN-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetamide
SMILESCCCC1(CCC)NC(=O)N(CC(=O)Nc2nnc(Cc3ccccc3)s2)C1=O
InChIInChI=1S/C20H25N5O3S/c1-3-10-20(11-4-2)17(27)25(19(28)22-20)13-15(26)21-18-24-23-16(29-18)12-14-8-6-5-7-9-14/h5-9H,3-4,10-13H2,1-2H3,(H,22,28)(H,21,24,26)
InChIKeyAMLFPZPFJIOMFK-UHFFFAOYSA-N
MW415.52 g/mol
LogP2.96
Rot. Bonds9

About N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetamide

N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetamide (PubChem CID 47004622) has the molecular formula C20H25N5O3S and a molecular weight of 415.52 g/mol. Its IUPAC name is N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetamide
PubChem CID47004622
Molecular FormulaC20H25N5O3S
Molecular Weight415.52 g/mol
Exact Mass415.17
IUPAC NameN-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetamide
SMILESCCCC1(CCC)NC(=O)N(CC(=O)Nc2nnc(Cc3ccccc3)s2)C1=O
InChIInChI=1S/C20H25N5O3S/c1-3-10-20(11-4-2)17(27)25(19(28)22-20)13-15(26)21-18-24-23-16(29-18)12-14-8-6-5-7-9-14/h5-9H,3-4,10-13H2,1-2H3,(H,22,28)(H,21,24,26)
InChIKeyAMLFPZPFJIOMFK-UHFFFAOYSA-N
XLogP2.96
TPSA104.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

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-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetamide
CID 51565085
N-(5-benzyl-1,3,4-thiadiazol-2-yl)propanamide
CID 794578
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-phenylacetamide;ethane
CID 123768495
N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 55336855
2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)-N-(2-methylsulfanylphenyl)acetamide
CID 7242029
2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 51970286
2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 51970285
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-(4-ethylphenyl)propanamide
CID 18272399
N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 166179099
N-(4-bromophenyl)-2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetamide
CID 7241991
N-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]pentanamide
CID 3120553

Frequently Asked Questions

What is the IUPAC name of N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetamide?
The IUPAC name of N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetamide (CID 47004622) is N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetamide?
The canonical SMILES for N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetamide is CCCC1(CCC)NC(=O)N(CC(=O)Nc2nnc(Cc3ccccc3)s2)C1=O.
What is the InChIKey of N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetamide?
The InChIKey is AMLFPZPFJIOMFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O3S/c1-3-10-20(11-4-2)17(27)25(19(28)22-20)13-15(26)21-18-24-23-16(29-18)12-14-8-6-5-7-9-14/h5-9H,3-4,10-13H2,1-2H3,(H,22,28)(H,21,24,26).
What are the key properties of N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetamide?
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetamide has a molecular weight of 415.52 g/mol, XLogP of 2.96, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetamide is sourced from PubChem (CID 47004622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).