3-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]-5,5-dimethylimidazolidine-2,4-dione

C11H16N4O2S — CID 79775113

IUPAC3-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCCNc1ncc(CN2C(=O)NC(C)(C)C2=O)s1
InChIInChI=1S/C11H16N4O2S/c1-4-12-9-13-5-7(18-9)6-15-8(16)11(2,3)14-10(15)17/h5H,4,6H2,1-3H3,(H,12,13)(H,14,17)
InChIKeyPAMNQWKGUNSZOZ-UHFFFAOYSA-N
MW268.34 g/mol
LogP1.41
Rot. Bonds4

About 3-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]-5,5-dimethylimidazolidine-2,4-dione

3-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 79775113) has the molecular formula C11H16N4O2S and a molecular weight of 268.34 g/mol. Its IUPAC name is 3-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]-5,5-dimethylimidazolidine-2,4-dione
PubChem CID79775113
Molecular FormulaC11H16N4O2S
Molecular Weight268.34 g/mol
Exact Mass268.10
IUPAC Name3-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCCNc1ncc(CN2C(=O)NC(C)(C)C2=O)s1
InChIInChI=1S/C11H16N4O2S/c1-4-12-9-13-5-7(18-9)6-15-8(16)11(2,3)14-10(15)17/h5H,4,6H2,1-3H3,(H,12,13)(H,14,17)
InChIKeyPAMNQWKGUNSZOZ-UHFFFAOYSA-N
XLogP1.41
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 51.41
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

5-(furan-2-yl)-3-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-5-methylimidazolidine-2,4-dione
CID 79761553
1-ethyl-4-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]piperazine-2,5-dione
CID 79941670
3-[[5-(ethylamino)thiadiazol-4-yl]methyl]-5,5-dimethylimidazolidine-2,4-dione
CID 62208007
1-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]-4,5-dihydro-3H-1-benzazepin-2-one
CID 79761288
5-bromo-1-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]pyridin-2-one
CID 79774454
3-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]-2,6-dimethylpyrimidin-4-one
CID 79774469
3-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione
CID 80611560
5-ethyl-3-[[5-(ethylamino)pyrazin-2-yl]methyl]-5-methylimidazolidine-2,4-dione
CID 103057107
3-[(2-chloro-1,3-thiazol-5-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 79765365
5-ethyl-3-[[6-(ethylamino)-3-pyridinyl]methyl]-5-methylimidazolidine-2,4-dione
CID 62207321
5-ethyl-1-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]pyrimidine-2,4-dione
CID 79774186
4-ethyl-3-[[2-(ethylamino)-1,3-thiazol-5-yl]methylsulfanyl]-1H-1,2,4-triazol-5-one
CID 79774994

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 3-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]-5,5-dimethylimidazolidine-2,4-dione (CID 79775113) is 3-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 3-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]-5,5-dimethylimidazolidine-2,4-dione is CCNc1ncc(CN2C(=O)NC(C)(C)C2=O)s1.
What is the InChIKey of 3-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is PAMNQWKGUNSZOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2S/c1-4-12-9-13-5-7(18-9)6-15-8(16)11(2,3)14-10(15)17/h5H,4,6H2,1-3H3,(H,12,13)(H,14,17).
What are the key properties of 3-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]-5,5-dimethylimidazolidine-2,4-dione?
3-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 268.34 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 79775113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).