2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]acetamide

C14H20N4O3S — CID 56749667

IUPAC2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]acetamide
SMILESCc1nc(CCNC(=O)CN2C(=O)NC(=O)C2(C)C)sc1C
InChIInChI=1S/C14H20N4O3S/c1-8-9(2)22-11(16-8)5-6-15-10(19)7-18-13(21)17-12(20)14(18,3)4/h5-7H2,1-4H3,(H,15,19)(H,17,20,21)
InChIKeyBQWIARWTLCOYCH-UHFFFAOYSA-N
MW324.41 g/mol
LogP0.75
Rot. Bonds5

About 2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]acetamide

2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]acetamide (PubChem CID 56749667) has the molecular formula C14H20N4O3S and a molecular weight of 324.41 g/mol. Its IUPAC name is 2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]acetamide
PubChem CID56749667
Molecular FormulaC14H20N4O3S
Molecular Weight324.41 g/mol
Exact Mass324.13
IUPAC Name2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]acetamide
SMILESCc1nc(CCNC(=O)CN2C(=O)NC(=O)C2(C)C)sc1C
InChIInChI=1S/C14H20N4O3S/c1-8-9(2)22-11(16-8)5-6-15-10(19)7-18-13(21)17-12(20)14(18,3)4/h5-7H2,1-4H3,(H,15,19)(H,17,20,21)
InChIKeyBQWIARWTLCOYCH-UHFFFAOYSA-N
XLogP0.75
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 50.75
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-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylamino]-N-(ethylcarbamoyl)acetamide
CID 71868853
2-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylamino]-N-(methylcarbamoyl)acetamide
CID 71986431
N-cyclopentyl-3-[(4,5-dimethyl-1,3-thiazol-2-yl)methylcarbamoylamino]propanamide
CID 72116610
N~2~-[(dimethylamino)carbonyl]-N~1~-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]glycinamide
CID 77089756
1-[2-[2-(4,5-Dimethyl-1,3-thiazol-2-yl)propan-2-ylamino]ethyl]pyrrolidine-2,5-dione
CID 84591263
3-[2-(4,5-Dimethyl-1,3-thiazol-2-yl)ethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 86814655
2-[(aminocarbonyl)(methyl)amino]-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]acetamide
CID 119058752
2-[3-[(4,5-Dimethyl-1,3-thiazol-2-yl)methyl]-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]acetamide
CID 132385731
1-Ethyl-3-(2-ethyl-4-methyl-1,3-thiazol-5-yl)imidazolidine-2,4-dione
CID 137957573
(5S)-3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-5-(methoxymethyl)-5-methylimidazolidine-2,4-dione
CID 164638804
3-[2-(4,5-Dimethyl-1,3-thiazol-2-yl)propan-2-ylamino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 71986448
2-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethylcarbamoylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 75382119

Frequently Asked Questions

What is the IUPAC name of 2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]acetamide?
The IUPAC name of 2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]acetamide (CID 56749667) is 2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]acetamide?
The canonical SMILES for 2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]acetamide is Cc1nc(CCNC(=O)CN2C(=O)NC(=O)C2(C)C)sc1C.
What is the InChIKey of 2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]acetamide?
The InChIKey is BQWIARWTLCOYCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3S/c1-8-9(2)22-11(16-8)5-6-15-10(19)7-18-13(21)17-12(20)14(18,3)4/h5-7H2,1-4H3,(H,15,19)(H,17,20,21).
What are the key properties of 2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]acetamide?
2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]acetamide has a molecular weight of 324.41 g/mol, XLogP of 0.75, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]acetamide is sourced from PubChem (CID 56749667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).