N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide

C25H22N4O3S — CID 112766229

IUPACN-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide
SMILESO=C(CN1C(=O)NC2(CCc3ccccc32)C1=O)Nc1nc(-c2ccc3c(c2)CCC3)cs1
InChIInChI=1S/C25H22N4O3S/c30-21(27-23-26-20(14-33-23)18-9-8-15-5-3-6-17(15)12-18)13-29-22(31)25(28-24(29)32)11-10-16-4-1-2-7-19(16)25/h1-2,4,7-9,12,14H,3,5-6,10-11,13H2,(H,28,32)(H,26,27,30)
InChIKeyIIDOIVMUWHHYCI-UHFFFAOYSA-N
MW458.54 g/mol
LogP3.63
Rot. Bonds4

About N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide

N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide (PubChem CID 112766229) has the molecular formula C25H22N4O3S and a molecular weight of 458.54 g/mol. Its IUPAC name is N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide.

Molecular Properties

Compound NameN-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide
PubChem CID112766229
Molecular FormulaC25H22N4O3S
Molecular Weight458.54 g/mol
Exact Mass458.14
IUPAC NameN-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide
SMILESO=C(CN1C(=O)NC2(CCc3ccccc32)C1=O)Nc1nc(-c2ccc3c(c2)CCC3)cs1
InChIInChI=1S/C25H22N4O3S/c30-21(27-23-26-20(14-33-23)18-9-8-15-5-3-6-17(15)12-18)13-29-22(31)25(28-24(29)32)11-10-16-4-1-2-7-19(16)25/h1-2,4,7-9,12,14H,3,5-6,10-11,13H2,(H,28,32)(H,26,27,30)
InChIKeyIIDOIVMUWHHYCI-UHFFFAOYSA-N
XLogP3.63
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.54
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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
2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 18129861
N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetamide
CID 24569217
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
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetamide
CID 24569284
N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide
CID 24575826
2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 17450343
2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-(4-phenylphenyl)acetamide
CID 25388429
2-(1-methylidene-3-oxoisoindol-2-yl)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]acetamide
CID 16592785
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
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-[4-(3,4-difluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetamide
CID 24648642

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide?
The IUPAC name of N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide (CID 112766229) is N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide.
What is the SMILES notation for N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide?
The canonical SMILES for N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide is O=C(CN1C(=O)NC2(CCc3ccccc32)C1=O)Nc1nc(-c2ccc3c(c2)CCC3)cs1.
What is the InChIKey of N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide?
The InChIKey is IIDOIVMUWHHYCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O3S/c30-21(27-23-26-20(14-33-23)18-9-8-15-5-3-6-17(15)12-18)13-29-22(31)25(28-24(29)32)11-10-16-4-1-2-7-19(16)25/h1-2,4,7-9,12,14H,3,5-6,10-11,13H2,(H,28,32)(H,26,27,30).
What are the key properties of N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide?
N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide has a molecular weight of 458.54 g/mol, XLogP of 3.63, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide is sourced from PubChem (CID 112766229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).