2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide

C18H19N5O3S — CID 51970285

IUPAC2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCCc1nnc(NC(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)s1
InChIInChI=1S/C18H19N5O3S/c1-2-5-14-21-22-16(27-14)19-13(24)10-23-15(25)18(20-17(23)26)9-8-11-6-3-4-7-12(11)18/h3-4,6-7H,2,5,8-10H2,1H3,(H,20,26)(H,19,22,24)/t18-/m0/s1
InChIKeyOIIVMUFKNAHBCU-SFHVURJKSA-N
MW385.45 g/mol
LogP1.82
Rot. Bonds5

About 2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide

2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 51970285) has the molecular formula C18H19N5O3S and a molecular weight of 385.45 g/mol. Its IUPAC name is 2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID51970285
Molecular FormulaC18H19N5O3S
Molecular Weight385.45 g/mol
Exact Mass385.12
IUPAC Name2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCCc1nnc(NC(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)s1
InChIInChI=1S/C18H19N5O3S/c1-2-5-14-21-22-16(27-14)19-13(24)10-23-15(25)18(20-17(23)26)9-8-11-6-3-4-7-12(11)18/h3-4,6-7H,2,5,8-10H2,1H3,(H,20,26)(H,19,22,24)/t18-/m0/s1
InChIKeyOIIVMUFKNAHBCU-SFHVURJKSA-N
XLogP1.82
TPSA104.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 51.82
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

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
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
2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 17450343
2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide
CID 24560199
2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 18129861
2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-propylacetamide
CID 5182693
2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-(2-ethylphenyl)acetamide
CID 41077087
2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-(4-ethylphenyl)acetamide
CID 2702897
2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-[2-(ethylaminomethyl)phenyl]acetamide;hydrochloride
CID 119439952
N-[4-(2,5-dimethylthiophen-3-yl)-1,3-thiazol-2-yl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide
CID 24570361
2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 24568991
N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide
CID 24627844

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 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) is 2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide is CCCc1nnc(NC(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)s1.
What is the InChIKey of 2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is OIIVMUFKNAHBCU-SFHVURJKSA-N. The full InChI is InChI=1S/C18H19N5O3S/c1-2-5-14-21-22-16(27-14)19-13(24)10-23-15(25)18(20-17(23)26)9-8-11-6-3-4-7-12(11)18/h3-4,6-7H,2,5,8-10H2,1H3,(H,20,26)(H,19,22,24)/t18-/m0/s1.
What are the key properties of 2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide?
2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 385.45 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 51970285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).