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

C22H20N4O3S2 — CID 24570361

About 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

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 (PubChem CID 24570361) has the molecular formula C22H20N4O3S2 and a molecular weight of 452.56 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 24570361
• Molecular Formula: C22H20N4O3S2
• Molecular Weight: 452.56 g/mol
• Exact Mass: 452.10
• IUPAC Name: 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
• SMILES: Cc1cc(-c2csc(NC(=O)CN3C(=O)NC4(CCc5ccccc54)C3=O)n2)c(C)s1
• InChI: InChI=1S/C22H20N4O3S2/c1-12-9-15(13(2)31-12)17-11-30-20(23-17)24-18(27)10-26-19(28)22(25-21(26)29)8-7-14-5-3-4-6-16(14)22/h3-6,9,11H,7-8,10H2,1-2H3,(H,25,29)(H,23,24,27)
• InChIKey: JIFJEKZANDCGEP-UHFFFAOYSA-N
• XLogP: 3.82
• TPSA: 91.40 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	452.56
LogP ≤ 5	3.82
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is Cc1cc(-c2csc(NC(=O)CN3C(=O)NC4(CCc5ccccc54)C3=O)n2)c(C)s1.

What is the InChIKey of 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?

The InChIKey is JIFJEKZANDCGEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3S2/c1-12-9-15(13(2)31-12)17-11-30-20(23-17)24-18(27)10-26-19(28)22(25-21(26)29)8-7-14-5-3-4-6-16(14)22/h3-6,9,11H,7-8,10H2,1-2H3,(H,25,29)(H,23,24,27).

What are the key properties of 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?

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 has a molecular weight of 452.56 g/mol, XLogP of 3.82, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 24570361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).