N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-[(4R)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide

C20H22N4O4S — CID 99871248

About N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-[(4R)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide

N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-[(4R)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide (PubChem CID 99871248) has the molecular formula C20H22N4O4S and a molecular weight of 414.49 g/mol. Its IUPAC name is N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-[(4R)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide.

Molecular Properties

• Compound Name: N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-[(4R)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide
• PubChem CID: 99871248
• Molecular Formula: C20H22N4O4S
• Molecular Weight: 414.49 g/mol
• Exact Mass: 414.14
• IUPAC Name: N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-[(4R)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide
• SMILES: COc1ccc(CCN2C(=O)N[C@H](CC(=O)Nc3nc4c(s3)CCC4)C2=O)cc1
• InChI: InChI=1S/C20H22N4O4S/c1-28-13-7-5-12(6-8-13)9-10-24-18(26)15(22-20(24)27)11-17(25)23-19-21-14-3-2-4-16(14)29-19/h5-8,15H,2-4,9-11H2,1H3,(H,22,27)(H,21,23,25)/t15-/m1/s1
• InChIKey: GXTQOFDGIITKLB-OAHLLOKOSA-N
• XLogP: 2.13
• TPSA: 100.63 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	414.49
LogP ≤ 5	2.13
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-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-[(4R)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide?

The IUPAC name of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-[(4R)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide (CID 99871248) is N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-[(4R)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide.

What is the SMILES notation for N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-[(4R)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide?

The canonical SMILES for N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-[(4R)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide is COc1ccc(CCN2C(=O)N[C@H](CC(=O)Nc3nc4c(s3)CCC4)C2=O)cc1.

What is the InChIKey of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-[(4R)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide?

The InChIKey is GXTQOFDGIITKLB-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H22N4O4S/c1-28-13-7-5-12(6-8-13)9-10-24-18(26)15(22-20(24)27)11-17(25)23-19-21-14-3-2-4-16(14)29-19/h5-8,15H,2-4,9-11H2,1H3,(H,22,27)(H,21,23,25)/t15-/m1/s1.

What are the key properties of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-[(4R)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide?

N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-[(4R)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide has a molecular weight of 414.49 g/mol, XLogP of 2.13, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-[(4R)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide is sourced from PubChem (CID 99871248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).