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

C24H20F2N4O3S — CID 24648642

IUPACN-[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
SMILESCc1sc(NC(=O)CN2C(=O)NC3(CCCc4ccccc43)C2=O)nc1-c1ccc(F)c(F)c1
InChIInChI=1S/C24H20F2N4O3S/c1-13-20(15-8-9-17(25)18(26)11-15)28-22(34-13)27-19(31)12-30-21(32)24(29-23(30)33)10-4-6-14-5-2-3-7-16(14)24/h2-3,5,7-9,11H,4,6,10,12H2,1H3,(H,29,33)(H,27,28,31)
InChIKeyKZVRGTCEBOFHRI-UHFFFAOYSA-N
MW482.51 g/mol
LogP4.12
Rot. Bonds4

About 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

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 (PubChem CID 24648642) has the molecular formula C24H20F2N4O3S and a molecular weight of 482.51 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID24648642
Molecular FormulaC24H20F2N4O3S
Molecular Weight482.51 g/mol
Exact Mass482.12
IUPAC NameN-[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
SMILESCc1sc(NC(=O)CN2C(=O)NC3(CCCc4ccccc43)C2=O)nc1-c1ccc(F)c(F)c1
InChIInChI=1S/C24H20F2N4O3S/c1-13-20(15-8-9-17(25)18(26)11-15)28-22(34-13)27-19(31)12-30-21(32)24(29-23(30)33)10-4-6-14-5-2-3-7-16(14)24/h2-3,5,7-9,11H,4,6,10,12H2,1H3,(H,29,33)(H,27,28,31)
InChIKeyKZVRGTCEBOFHRI-UHFFFAOYSA-N
XLogP4.12
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.51
LogP ≤ 54.12
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-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide
CID 24560199
N-(3,4-difluorophenyl)-2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetamide
CID 2706022
N-(3,4-difluorophenyl)-2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide
CID 2680838
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[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-(5-fluoro-2-methylphenyl)acetamide
CID 16559520
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
2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 18129861
2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 40745155
2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-(4-phenylphenyl)acetamide
CID 25388429
2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-(2-methylphenyl)acetamide
CID 2706018
N-(3-chloro-4-methylphenyl)-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetamide
CID 16559490
N-[4-(3,4-difluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
CID 16596091

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1sc(NC(=O)CN2C(=O)NC3(CCCc4ccccc43)C2=O)nc1-c1ccc(F)c(F)c1.
What is the InChIKey of 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?
The InChIKey is KZVRGTCEBOFHRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F2N4O3S/c1-13-20(15-8-9-17(25)18(26)11-15)28-22(34-13)27-19(31)12-30-21(32)24(29-23(30)33)10-4-6-14-5-2-3-7-16(14)24/h2-3,5,7-9,11H,4,6,10,12H2,1H3,(H,29,33)(H,27,28,31).
What are the key properties of 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?
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 has a molecular weight of 482.51 g/mol, XLogP of 4.12, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 24648642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).