2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(6-ethyl-1,3-benzothiazol-2-yl)acetamide

C18H20N4O3S — CID 17411026

IUPAC2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(6-ethyl-1,3-benzothiazol-2-yl)acetamide
SMILESCCc1ccc2nc(NC(=O)CN3C(=O)NC(C)(C4CC4)C3=O)sc2c1
InChIInChI=1S/C18H20N4O3S/c1-3-10-4-7-12-13(8-10)26-16(19-12)20-14(23)9-22-15(24)18(2,11-5-6-11)21-17(22)25/h4,7-8,11H,3,5-6,9H2,1-2H3,(H,21,25)(H,19,20,23)
InChIKeyVHYZNJYLDROMMX-UHFFFAOYSA-N
MW372.45 g/mol
LogP2.52
Rot. Bonds5

About 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(6-ethyl-1,3-benzothiazol-2-yl)acetamide

2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(6-ethyl-1,3-benzothiazol-2-yl)acetamide (PubChem CID 17411026) has the molecular formula C18H20N4O3S and a molecular weight of 372.45 g/mol. Its IUPAC name is 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(6-ethyl-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(6-ethyl-1,3-benzothiazol-2-yl)acetamide
PubChem CID17411026
Molecular FormulaC18H20N4O3S
Molecular Weight372.45 g/mol
Exact Mass372.13
IUPAC Name2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(6-ethyl-1,3-benzothiazol-2-yl)acetamide
SMILESCCc1ccc2nc(NC(=O)CN3C(=O)NC(C)(C4CC4)C3=O)sc2c1
InChIInChI=1S/C18H20N4O3S/c1-3-10-4-7-12-13(8-10)26-16(19-12)20-14(23)9-22-15(24)18(2,11-5-6-11)21-17(22)25/h4,7-8,11H,3,5-6,9H2,1-2H3,(H,21,25)(H,19,20,23)
InChIKeyVHYZNJYLDROMMX-UHFFFAOYSA-N
XLogP2.52
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide
CID 55335075
N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 42154122
N-(6-ethyl-1,3-benzothiazol-2-yl)butanamide
CID 2410170
2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 8569722
2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-thiophen-3-ylacetamide
CID 97021772
2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(2,4,6-trimethyl-3-pyridinyl)acetamide
CID 78838035
2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[5-phenyl-7-(trifluoromethyl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]acetamide
CID 41084237
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 41079731
methyl 3-[[2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]benzoate
CID 16557283
N-(2-acetamido-1,3-benzothiazol-6-yl)-2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 55768341
N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 47006919
4-butyl-N-(6-ethyl-1,3-benzothiazol-2-yl)cyclohexane-1-carboxamide
CID 108745483

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(6-ethyl-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(6-ethyl-1,3-benzothiazol-2-yl)acetamide (CID 17411026) is 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(6-ethyl-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(6-ethyl-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(6-ethyl-1,3-benzothiazol-2-yl)acetamide is CCc1ccc2nc(NC(=O)CN3C(=O)NC(C)(C4CC4)C3=O)sc2c1.
What is the InChIKey of 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(6-ethyl-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is VHYZNJYLDROMMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3S/c1-3-10-4-7-12-13(8-10)26-16(19-12)20-14(23)9-22-15(24)18(2,11-5-6-11)21-17(22)25/h4,7-8,11H,3,5-6,9H2,1-2H3,(H,21,25)(H,19,20,23).
What are the key properties of 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(6-ethyl-1,3-benzothiazol-2-yl)acetamide?
2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(6-ethyl-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 372.45 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(6-ethyl-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 17411026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).