[2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate

C23H20N4O5S — CID 41470422

IUPAC[2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate
SMILESCC(=O)N(c1ccccc1)c1nc(COC(=O)c2ccc(CN3C(=O)CNC3=O)cc2)cs1
InChIInChI=1S/C23H20N4O5S/c1-15(28)27(19-5-3-2-4-6-19)23-25-18(14-33-23)13-32-21(30)17-9-7-16(8-10-17)12-26-20(29)11-24-22(26)31/h2-10,14H,11-13H2,1H3,(H,24,31)
InChIKeyUVKLDPLBCWYUBM-UHFFFAOYSA-N
MW464.50 g/mol
LogP3.24
Rot. Bonds7

About [2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate

[2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate (PubChem CID 41470422) has the molecular formula C23H20N4O5S and a molecular weight of 464.50 g/mol. Its IUPAC name is [2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate.

Molecular Properties

Compound Name[2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate
PubChem CID41470422
Molecular FormulaC23H20N4O5S
Molecular Weight464.50 g/mol
Exact Mass464.12
IUPAC Name[2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate
SMILESCC(=O)N(c1ccccc1)c1nc(COC(=O)c2ccc(CN3C(=O)CNC3=O)cc2)cs1
InChIInChI=1S/C23H20N4O5S/c1-15(28)27(19-5-3-2-4-6-19)23-25-18(14-33-23)13-32-21(30)17-9-7-16(8-10-17)12-26-20(29)11-24-22(26)31/h2-10,14H,11-13H2,1H3,(H,24,31)
InChIKeyUVKLDPLBCWYUBM-UHFFFAOYSA-N
XLogP3.24
TPSA108.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.50
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze [2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate?
The IUPAC name of [2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate (CID 41470422) is [2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate.
What is the SMILES notation for [2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate?
The canonical SMILES for [2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate is CC(=O)N(c1ccccc1)c1nc(COC(=O)c2ccc(CN3C(=O)CNC3=O)cc2)cs1.
What is the InChIKey of [2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate?
The InChIKey is UVKLDPLBCWYUBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O5S/c1-15(28)27(19-5-3-2-4-6-19)23-25-18(14-33-23)13-32-21(30)17-9-7-16(8-10-17)12-26-20(29)11-24-22(26)31/h2-10,14H,11-13H2,1H3,(H,24,31).
What are the key properties of [2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate?
[2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate has a molecular weight of 464.50 g/mol, XLogP of 3.24, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate is sourced from PubChem (CID 41470422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).