N-[(1S)-1-cyclopropylethyl]-N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide

C24H29N5O3S — CID 118957590

About N-[(1S)-1-cyclopropylethyl]-N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide

N-[(1S)-1-cyclopropylethyl]-N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide (PubChem CID 118957590) has the molecular formula C24H29N5O3S and a molecular weight of 467.60 g/mol. Its IUPAC name is N-[(1S)-1-cyclopropylethyl]-N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide.

Molecular Properties

• Compound Name: N-[(1S)-1-cyclopropylethyl]-N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide
• PubChem CID: 118957590
• Molecular Formula: C24H29N5O3S
• Molecular Weight: 467.60 g/mol
• Exact Mass: 467.20
• IUPAC Name: N-[(1S)-1-cyclopropylethyl]-N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide
• SMILES: C[C@@H](C1CC1)N(Cc1csc(N(C)C)n1)C(=O)CN1C(=O)NC2(CCc3ccccc32)C1=O
• InChI: InChI=1S/C24H29N5O3S/c1-15(16-8-9-16)28(12-18-14-33-23(25-18)27(2)3)20(30)13-29-21(31)24(26-22(29)32)11-10-17-6-4-5-7-19(17)24/h4-7,14-16H,8-13H2,1-3H3,(H,26,32)/t15-,24?/m0/s1
• InChIKey: QHYPASCBYQQVPH-FZADBTJQSA-N
• XLogP: 2.73
• TPSA: 85.85 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	467.60
LogP ≤ 5	2.73
H-Bond Donors ≤ 5	1
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-[(1S)-1-cyclopropylethyl]-N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide?

The IUPAC name of N-[(1S)-1-cyclopropylethyl]-N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide (CID 118957590) is N-[(1S)-1-cyclopropylethyl]-N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide.

What is the SMILES notation for N-[(1S)-1-cyclopropylethyl]-N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide?

The canonical SMILES for N-[(1S)-1-cyclopropylethyl]-N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide is C[C@@H](C1CC1)N(Cc1csc(N(C)C)n1)C(=O)CN1C(=O)NC2(CCc3ccccc32)C1=O.

What is the InChIKey of N-[(1S)-1-cyclopropylethyl]-N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide?

The InChIKey is QHYPASCBYQQVPH-FZADBTJQSA-N. The full InChI is InChI=1S/C24H29N5O3S/c1-15(16-8-9-16)28(12-18-14-33-23(25-18)27(2)3)20(30)13-29-21(31)24(26-22(29)32)11-10-17-6-4-5-7-19(17)24/h4-7,14-16H,8-13H2,1-3H3,(H,26,32)/t15-,24?/m0/s1.

What are the key properties of N-[(1S)-1-cyclopropylethyl]-N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide?

N-[(1S)-1-cyclopropylethyl]-N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide has a molecular weight of 467.60 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-1-cyclopropylethyl]-N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide is sourced from PubChem (CID 118957590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).