N-[4-[[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide

C21H20N4O4S — CID 16612121

IUPACN-[4-[[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide
SMILESCC(=O)N(c1cccc(C)c1)c1nc(CN2C(=O)NC(C)(c3ccco3)C2=O)cs1
InChIInChI=1S/C21H20N4O4S/c1-13-6-4-7-16(10-13)25(14(2)26)20-22-15(12-30-20)11-24-18(27)21(3,23-19(24)28)17-8-5-9-29-17/h4-10,12H,11H2,1-3H3,(H,23,28)
InChIKeyNZHHSGGWLJETHM-UHFFFAOYSA-N
MW424.48 g/mol
LogP3.70
Rot. Bonds5

About N-[4-[[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide

N-[4-[[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide (PubChem CID 16612121) has the molecular formula C21H20N4O4S and a molecular weight of 424.48 g/mol. Its IUPAC name is N-[4-[[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[4-[[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide
PubChem CID16612121
Molecular FormulaC21H20N4O4S
Molecular Weight424.48 g/mol
Exact Mass424.12
IUPAC NameN-[4-[[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide
SMILESCC(=O)N(c1cccc(C)c1)c1nc(CN2C(=O)NC(C)(c3ccco3)C2=O)cs1
InChIInChI=1S/C21H20N4O4S/c1-13-6-4-7-16(10-13)25(14(2)26)20-22-15(12-30-20)11-24-18(27)21(3,23-19(24)28)17-8-5-9-29-17/h4-10,12H,11H2,1-3H3,(H,23,28)
InChIKeyNZHHSGGWLJETHM-UHFFFAOYSA-N
XLogP3.70
TPSA95.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.48
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide?
The IUPAC name of N-[4-[[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide (CID 16612121) is N-[4-[[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide.
What is the SMILES notation for N-[4-[[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide?
The canonical SMILES for N-[4-[[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide is CC(=O)N(c1cccc(C)c1)c1nc(CN2C(=O)NC(C)(c3ccco3)C2=O)cs1.
What is the InChIKey of N-[4-[[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide?
The InChIKey is NZHHSGGWLJETHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O4S/c1-13-6-4-7-16(10-13)25(14(2)26)20-22-15(12-30-20)11-24-18(27)21(3,23-19(24)28)17-8-5-9-29-17/h4-10,12H,11H2,1-3H3,(H,23,28).
What are the key properties of N-[4-[[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide?
N-[4-[[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide has a molecular weight of 424.48 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 16612121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).