N-[4-[(3-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide

C22H20N4O3S — CID 55733110

IUPACN-[4-[(3-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(CN2C(=O)C(c3ccccc3)N(Cc3ccccc3)C2=O)cs1
InChIInChI=1S/C22H20N4O3S/c1-15(27)23-21-24-18(14-30-21)13-26-20(28)19(17-10-6-3-7-11-17)25(22(26)29)12-16-8-4-2-5-9-16/h2-11,14,19H,12-13H2,1H3,(H,23,24,27)
InChIKeyBITKHOLZUOINBD-UHFFFAOYSA-N
MW420.49 g/mol
LogP3.81
Rot. Bonds6

About N-[4-[(3-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide

N-[4-[(3-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 55733110) has the molecular formula C22H20N4O3S and a molecular weight of 420.49 g/mol. Its IUPAC name is N-[4-[(3-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-[(3-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID55733110
Molecular FormulaC22H20N4O3S
Molecular Weight420.49 g/mol
Exact Mass420.13
IUPAC NameN-[4-[(3-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(CN2C(=O)C(c3ccccc3)N(Cc3ccccc3)C2=O)cs1
InChIInChI=1S/C22H20N4O3S/c1-15(27)23-21-24-18(14-30-21)13-26-20(28)19(17-10-6-3-7-11-17)25(22(26)29)12-16-8-4-2-5-9-16/h2-11,14,19H,12-13H2,1H3,(H,23,24,27)
InChIKeyBITKHOLZUOINBD-UHFFFAOYSA-N
XLogP3.81
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-[(3-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide (CID 55733110) is N-[4-[(3-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-[(3-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-[(3-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(CN2C(=O)C(c3ccccc3)N(Cc3ccccc3)C2=O)cs1.
What is the InChIKey of N-[4-[(3-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is BITKHOLZUOINBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3S/c1-15(27)23-21-24-18(14-30-21)13-26-20(28)19(17-10-6-3-7-11-17)25(22(26)29)12-16-8-4-2-5-9-16/h2-11,14,19H,12-13H2,1H3,(H,23,24,27).
What are the key properties of N-[4-[(3-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide?
N-[4-[(3-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 420.49 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 55733110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).