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

C24H24N4O4S — CID 55358526

IUPACN-benzyl-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
SMILESCOc1ccc2nc(N(Cc3ccccc3)C(=O)CN3C(=O)NC(C)(C4CC4)C3=O)sc2c1
InChIInChI=1S/C24H24N4O4S/c1-24(16-8-9-16)21(30)28(22(31)26-24)14-20(29)27(13-15-6-4-3-5-7-15)23-25-18-11-10-17(32-2)12-19(18)33-23/h3-7,10-12,16H,8-9,13-14H2,1-2H3,(H,26,31)
InChIKeyHUFRJYXAURGTLA-UHFFFAOYSA-N
MW464.55 g/mol
LogP3.56
Rot. Bonds7

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

N-benzyl-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide (PubChem CID 55358526) has the molecular formula C24H24N4O4S and a molecular weight of 464.55 g/mol. Its IUPAC name is N-benzyl-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
PubChem CID55358526
Molecular FormulaC24H24N4O4S
Molecular Weight464.55 g/mol
Exact Mass464.15
IUPAC NameN-benzyl-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
SMILESCOc1ccc2nc(N(Cc3ccccc3)C(=O)CN3C(=O)NC(C)(C4CC4)C3=O)sc2c1
InChIInChI=1S/C24H24N4O4S/c1-24(16-8-9-16)21(30)28(22(31)26-24)14-20(29)27(13-15-6-4-3-5-7-15)23-25-18-11-10-17(32-2)12-19(18)33-23/h3-7,10-12,16H,8-9,13-14H2,1-2H3,(H,26,31)
InChIKeyHUFRJYXAURGTLA-UHFFFAOYSA-N
XLogP3.56
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.55
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-benzyl-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide with MolForge

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

Launch Full Analysis

Related Compounds

N-benzyl-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
CID 52893645
N-benzyl-N-(6-methoxy-1,3-benzothiazol-2-yl)butanamide
CID 7615805
ethyl 2-[[2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]-[(4-fluorophenyl)methyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 55372622
N-benzyl-3-(2,5-dioxopyrrolidin-1-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 41110227
3-(benzenesulfonyl)-N-benzyl-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
CID 18581957
N-benzyl-4-(4-ethoxyphenoxy)-N-(6-methoxy-1,3-benzothiazol-2-yl)butanamide
CID 2449845
N-benzyl-2-(4-fluorophenyl)sulfonyl-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 18581958
4-(benzenesulfonyl)-N-benzyl-N-(6-methoxy-1,3-benzothiazol-2-yl)butanamide
CID 41273295
N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-4-ylmethyl)benzamide
CID 18587392
N-benzyl-N-(6-methoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 7615801
N-benzyl-N-(6-chloro-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)sulfanylacetamide
CID 41320960
N-benzyl-3-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 41110197

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of N-benzyl-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide (CID 55358526) is N-benzyl-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for N-benzyl-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for N-benzyl-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide is COc1ccc2nc(N(Cc3ccccc3)C(=O)CN3C(=O)NC(C)(C4CC4)C3=O)sc2c1.
What is the InChIKey of N-benzyl-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is HUFRJYXAURGTLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O4S/c1-24(16-8-9-16)21(30)28(22(31)26-24)14-20(29)27(13-15-6-4-3-5-7-15)23-25-18-11-10-17(32-2)12-19(18)33-23/h3-7,10-12,16H,8-9,13-14H2,1-2H3,(H,26,31).
What are the key properties of N-benzyl-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide?
N-benzyl-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 464.55 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 55358526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).