2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-(6-phenoxy-1,3-benzothiazol-2-yl)acetamide

C26H20N4O4S — CID 42999966

IUPAC2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-(6-phenoxy-1,3-benzothiazol-2-yl)acetamide
SMILESO=C(CN1C(=O)NC2(CCc3ccccc32)C1=O)Nc1nc2ccc(Oc3ccccc3)cc2s1
InChIInChI=1S/C26H20N4O4S/c31-22(15-30-23(32)26(29-25(30)33)13-12-16-6-4-5-9-19(16)26)28-24-27-20-11-10-18(14-21(20)35-24)34-17-7-2-1-3-8-17/h1-11,14H,12-13,15H2,(H,29,33)(H,27,28,31)
InChIKeyPNGMZRSRLQMJLM-UHFFFAOYSA-N
MW484.54 g/mol
LogP4.42
Rot. Bonds5

About 2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-(6-phenoxy-1,3-benzothiazol-2-yl)acetamide

2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-(6-phenoxy-1,3-benzothiazol-2-yl)acetamide (PubChem CID 42999966) has the molecular formula C26H20N4O4S and a molecular weight of 484.54 g/mol. Its IUPAC name is 2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-(6-phenoxy-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-(6-phenoxy-1,3-benzothiazol-2-yl)acetamide
PubChem CID42999966
Molecular FormulaC26H20N4O4S
Molecular Weight484.54 g/mol
Exact Mass484.12
IUPAC Name2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-(6-phenoxy-1,3-benzothiazol-2-yl)acetamide
SMILESO=C(CN1C(=O)NC2(CCc3ccccc32)C1=O)Nc1nc2ccc(Oc3ccccc3)cc2s1
InChIInChI=1S/C26H20N4O4S/c31-22(15-30-23(32)26(29-25(30)33)13-12-16-6-4-5-9-19(16)26)28-24-27-20-11-10-18(14-21(20)35-24)34-17-7-2-1-3-8-17/h1-11,14H,12-13,15H2,(H,29,33)(H,27,28,31)
InChIKeyPNGMZRSRLQMJLM-UHFFFAOYSA-N
XLogP4.42
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.54
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-(6-phenoxy-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of 2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-(6-phenoxy-1,3-benzothiazol-2-yl)acetamide (CID 42999966) is 2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-(6-phenoxy-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for 2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-(6-phenoxy-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for 2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-(6-phenoxy-1,3-benzothiazol-2-yl)acetamide is O=C(CN1C(=O)NC2(CCc3ccccc32)C1=O)Nc1nc2ccc(Oc3ccccc3)cc2s1.
What is the InChIKey of 2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-(6-phenoxy-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is PNGMZRSRLQMJLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N4O4S/c31-22(15-30-23(32)26(29-25(30)33)13-12-16-6-4-5-9-19(16)26)28-24-27-20-11-10-18(14-21(20)35-24)34-17-7-2-1-3-8-17/h1-11,14H,12-13,15H2,(H,29,33)(H,27,28,31).
What are the key properties of 2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-(6-phenoxy-1,3-benzothiazol-2-yl)acetamide?
2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-(6-phenoxy-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 484.54 g/mol, XLogP of 4.42, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-(6-phenoxy-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 42999966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).