N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide

C19H18N4O5S — CID 8023947

About N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide

N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 8023947) has the molecular formula C19H18N4O5S and a molecular weight of 414.44 g/mol. Its IUPAC name is N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

• Compound Name: N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
• PubChem CID: 8023947
• Molecular Formula: C19H18N4O5S
• Molecular Weight: 414.44 g/mol
• Exact Mass: 414.10
• IUPAC Name: N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
• SMILES: C[C@]1(C2CC2)NC(=O)N(CC(=O)Nc2nc(-c3ccc4c(c3)OCO4)cs2)C1=O
• InChI: InChI=1S/C19H18N4O5S/c1-19(11-3-4-11)16(25)23(18(26)22-19)7-15(24)21-17-20-12(8-29-17)10-2-5-13-14(6-10)28-9-27-13/h2,5-6,8,11H,3-4,7,9H2,1H3,(H,22,26)(H,20,21,24)/t19-/m1/s1
• InChIKey: WUBUSVFBKMXCER-LJQANCHMSA-N
• XLogP: 2.20
• TPSA: 109.86 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	414.44
LogP ≤ 5	2.20
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-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?

The IUPAC name of N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (CID 8023947) is N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide.

What is the SMILES notation for N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?

The canonical SMILES for N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is C[C@]1(C2CC2)NC(=O)N(CC(=O)Nc2nc(-c3ccc4c(c3)OCO4)cs2)C1=O.

What is the InChIKey of N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?

The InChIKey is WUBUSVFBKMXCER-LJQANCHMSA-N. The full InChI is InChI=1S/C19H18N4O5S/c1-19(11-3-4-11)16(25)23(18(26)22-19)7-15(24)21-17-20-12(8-29-17)10-2-5-13-14(6-10)28-9-27-13/h2,5-6,8,11H,3-4,7,9H2,1H3,(H,22,26)(H,20,21,24)/t19-/m1/s1.

What are the key properties of N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?

N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 414.44 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 8023947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).