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

C11H13F3N4O2S — CID 79761031

IUPAC3-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione
SMILESCCNc1ncc(CN2C(=O)NC(C)(C(F)(F)F)C2=O)s1
InChIInChI=1S/C11H13F3N4O2S/c1-3-15-8-16-4-6(21-8)5-18-7(19)10(2,11(12,13)14)17-9(18)20/h4H,3,5H2,1-2H3,(H,15,16)(H,17,20)
InChIKeyPQBUXCPVKOPLSQ-UHFFFAOYSA-N
MW322.31 g/mol
LogP1.95
Rot. Bonds4

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

3-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione (PubChem CID 79761031) has the molecular formula C11H13F3N4O2S and a molecular weight of 322.31 g/mol. Its IUPAC name is 3-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione
PubChem CID79761031
Molecular FormulaC11H13F3N4O2S
Molecular Weight322.31 g/mol
Exact Mass322.07
IUPAC Name3-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione
SMILESCCNc1ncc(CN2C(=O)NC(C)(C(F)(F)F)C2=O)s1
InChIInChI=1S/C11H13F3N4O2S/c1-3-15-8-16-4-6(21-8)5-18-7(19)10(2,11(12,13)14)17-9(18)20/h4H,3,5H2,1-2H3,(H,15,16)(H,17,20)
InChIKeyPQBUXCPVKOPLSQ-UHFFFAOYSA-N
XLogP1.95
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.31
LogP ≤ 51.95
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-dimethyl-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]propanamide
CID 16293434
N-(5-methyl-1,3-thiazol-2-yl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 52897212
2-(ethylamino)-N-[(3S)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1,3-thiazole-5-carboxamide
CID 96525682
2-(3-methyl-2-oxoimidazolidin-1-yl)-N-(3,3,3-trifluoropropyl)-1,3-thiazole-5-carboxamide
CID 132469550
(4S)-N-(5-methyl-1,3-thiazol-2-yl)-2-oxoimidazolidine-4-carboxamide
CID 164629686
3-(Methylamino)-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-one
CID 22909972
3-[[2-[(2S,4S)-2-cyano-4-fluoropyrrolidin-1-yl]-2-oxoethyl]amino]-3-methyl-N-(5-methyl-1,3-thiazol-2-yl)butanamide
CID 44219010
Tert-butyl-[[2-[(2,2,2-trifluoroacetyl)amino]-1,3-thiazol-5-yl]methyl]carbamic acid
CID 87871120
N-[5-[(2-aminoethylamino)methyl]-1,3-thiazol-2-yl]-2,2,2-trifluoroacetamide
CID 88680398
1-Methyl-3-[5-(trifluoromethyl)-1,3-thiazol-2-yl]imidazolidine-2,4-dione
CID 121320449
N-[5-[[2-(trifluoromethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 167298075
N-(5-methyl-1,3-thiazol-2-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 45812068

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione?
The IUPAC name of 3-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione (CID 79761031) is 3-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione?
The canonical SMILES for 3-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione is CCNc1ncc(CN2C(=O)NC(C)(C(F)(F)F)C2=O)s1.
What is the InChIKey of 3-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione?
The InChIKey is PQBUXCPVKOPLSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N4O2S/c1-3-15-8-16-4-6(21-8)5-18-7(19)10(2,11(12,13)14)17-9(18)20/h4H,3,5H2,1-2H3,(H,15,16)(H,17,20).
What are the key properties of 3-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione?
3-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione has a molecular weight of 322.31 g/mol, XLogP of 1.95, 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-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 79761031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).