N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-[1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanamide

C21H24N4O5S — CID 75357094

About N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-[1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanamide

N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-[1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanamide (PubChem CID 75357094) has the molecular formula C21H24N4O5S and a molecular weight of 444.51 g/mol. Its IUPAC name is N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-[1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanamide.

Molecular Properties

• Compound Name: N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-[1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanamide
• PubChem CID: 75357094
• Molecular Formula: C21H24N4O5S
• Molecular Weight: 444.51 g/mol
• Exact Mass: 444.15
• IUPAC Name: N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-[1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanamide
• SMILES: COc1ccc(CN2C(=O)NC(CCC(=O)Nc3nc4c(s3)CCC4)C2=O)cc1OC
• InChI: InChI=1S/C21H24N4O5S/c1-29-15-8-6-12(10-16(15)30-2)11-25-19(27)14(23-21(25)28)7-9-18(26)24-20-22-13-4-3-5-17(13)31-20/h6,8,10,14H,3-5,7,9,11H2,1-2H3,(H,23,28)(H,22,24,26)
• InChIKey: YBBXETIVGHYIGF-UHFFFAOYSA-N
• XLogP: 2.49
• TPSA: 109.86 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	444.51
LogP ≤ 5	2.49
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

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)-3-[1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanamide?

The IUPAC name of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-[1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanamide (CID 75357094) is N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-[1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanamide.

What is the SMILES notation for N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-[1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanamide?

The canonical SMILES for N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-[1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanamide is COc1ccc(CN2C(=O)NC(CCC(=O)Nc3nc4c(s3)CCC4)C2=O)cc1OC.

What is the InChIKey of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-[1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanamide?

The InChIKey is YBBXETIVGHYIGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O5S/c1-29-15-8-6-12(10-16(15)30-2)11-25-19(27)14(23-21(25)28)7-9-18(26)24-20-22-13-4-3-5-17(13)31-20/h6,8,10,14H,3-5,7,9,11H2,1-2H3,(H,23,28)(H,22,24,26).

What are the key properties of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-[1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanamide?

N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-[1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanamide has a molecular weight of 444.51 g/mol, XLogP of 2.49, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-[1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanamide is sourced from PubChem (CID 75357094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).