N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide

C24H22N4O4S — CID 43000456

IUPACN-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
SMILESCCC1(c2ccccc2)NC(=O)N(CC(=O)Nc2nc(-c3ccccc3)c(C(C)=O)s2)C1=O
InChIInChI=1S/C24H22N4O4S/c1-3-24(17-12-8-5-9-13-17)21(31)28(23(32)27-24)14-18(30)25-22-26-19(20(33-22)15(2)29)16-10-6-4-7-11-16/h4-13H,3,14H2,1-2H3,(H,27,32)(H,25,26,30)
InChIKeyDLPYOTOEQHXYIJ-UHFFFAOYSA-N
MW462.53 g/mol
LogP3.81
Rot. Bonds7

About N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide

N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide (PubChem CID 43000456) has the molecular formula C24H22N4O4S and a molecular weight of 462.53 g/mol. Its IUPAC name is N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
PubChem CID43000456
Molecular FormulaC24H22N4O4S
Molecular Weight462.53 g/mol
Exact Mass462.14
IUPAC NameN-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
SMILESCCC1(c2ccccc2)NC(=O)N(CC(=O)Nc2nc(-c3ccccc3)c(C(C)=O)s2)C1=O
InChIInChI=1S/C24H22N4O4S/c1-3-24(17-12-8-5-9-13-17)21(31)28(23(32)27-24)14-18(30)25-22-26-19(20(33-22)15(2)29)16-10-6-4-7-11-16/h4-13H,3,14H2,1-2H3,(H,27,32)(H,25,26,30)
InChIKeyDLPYOTOEQHXYIJ-UHFFFAOYSA-N
XLogP3.81
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.53
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 47004621
2-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)acetamide
CID 51513965
2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide
CID 16550403
N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 166179099
N-(1H-benzimidazol-2-yl)-2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 51572716
2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(2-fluorophenyl)acetamide
CID 2582848
N-(4-chlorophenyl)-2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 7179775
2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-pyridin-3-ylacetamide
CID 31541792
N-ethoxy-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 42925429
2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 7704200
ethyl 5-[[2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetyl]amino]-3-methylthiophene-2-carboxylate
CID 30795038
2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide
CID 16549239

Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide?
The IUPAC name of N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide (CID 43000456) is N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide?
The canonical SMILES for N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide is CCC1(c2ccccc2)NC(=O)N(CC(=O)Nc2nc(-c3ccccc3)c(C(C)=O)s2)C1=O.
What is the InChIKey of N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide?
The InChIKey is DLPYOTOEQHXYIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O4S/c1-3-24(17-12-8-5-9-13-17)21(31)28(23(32)27-24)14-18(30)25-22-26-19(20(33-22)15(2)29)16-10-6-4-7-11-16/h4-13H,3,14H2,1-2H3,(H,27,32)(H,25,26,30).
What are the key properties of N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide?
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide has a molecular weight of 462.53 g/mol, XLogP of 3.81, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide is sourced from PubChem (CID 43000456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).