3-(2-phenylethyl)-5-(1,3-thiazol-2-ylamino)-5-(trifluoromethyl)imidazolidine-2,4-dione

C15H13F3N4O2S — CID 664219

IUPAC3-(2-phenylethyl)-5-(1,3-thiazol-2-ylamino)-5-(trifluoromethyl)imidazolidine-2,4-dione
SMILESO=C1NC(Nc2nccs2)(C(F)(F)F)C(=O)N1CCc1ccccc1
InChIInChI=1S/C15H13F3N4O2S/c16-15(17,18)14(20-12-19-7-9-25-12)11(23)22(13(24)21-14)8-6-10-4-2-1-3-5-10/h1-5,7,9H,6,8H2,(H,19,20)(H,21,24)
InChIKeyQRSJJXZBGGJTJF-UHFFFAOYSA-N
MW370.36 g/mol
LogP2.61
Rot. Bonds5

About 3-(2-phenylethyl)-5-(1,3-thiazol-2-ylamino)-5-(trifluoromethyl)imidazolidine-2,4-dione

3-(2-phenylethyl)-5-(1,3-thiazol-2-ylamino)-5-(trifluoromethyl)imidazolidine-2,4-dione (PubChem CID 664219) has the molecular formula C15H13F3N4O2S and a molecular weight of 370.36 g/mol. Its IUPAC name is 3-(2-phenylethyl)-5-(1,3-thiazol-2-ylamino)-5-(trifluoromethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(2-phenylethyl)-5-(1,3-thiazol-2-ylamino)-5-(trifluoromethyl)imidazolidine-2,4-dione
PubChem CID664219
Molecular FormulaC15H13F3N4O2S
Molecular Weight370.36 g/mol
Exact Mass370.07
IUPAC Name3-(2-phenylethyl)-5-(1,3-thiazol-2-ylamino)-5-(trifluoromethyl)imidazolidine-2,4-dione
SMILESO=C1NC(Nc2nccs2)(C(F)(F)F)C(=O)N1CCc1ccccc1
InChIInChI=1S/C15H13F3N4O2S/c16-15(17,18)14(20-12-19-7-9-25-12)11(23)22(13(24)21-14)8-6-10-4-2-1-3-5-10/h1-5,7,9H,6,8H2,(H,19,20)(H,21,24)
InChIKeyQRSJJXZBGGJTJF-UHFFFAOYSA-N
XLogP2.61
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.36
LogP ≤ 52.61
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

1-[2-(4-fluorophenyl)ethyl]-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 6461926
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3-[4-oxo-5-(3-phenyl-2-propen-1-ylidene)-2-thioxo-1,3-thiazolidin-3-yl]-N-1,3-thiazol-2-ylpropanamide
CID 1321247
N-Phenethyl-N'-thiazol-2-yl-oxalamide
CID 1870873
N-(tert-Butylcarbamoyl-methyl)-N'-thiazol-2-yl-N-(3-trifluoromethyl-phenyl)-succinamide
CID 3205522
3-(4-fluorophenyl)-2-(1,3-thiazol-2-yl)hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
CID 3242792
2-(3-benzyl-2,4-dioxo-1,3-thiazolidin-5-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 3827607
N-[(2-methylphenyl)methyl]-N'-(1,3-thiazol-2-yl)oxamide
CID 2111399
Stk050261
CID 2255346
5-Oxo-1-(1-phenyl-ethyl)-pyrrolidine-3-carboxylic acid thiazol-2-ylamide
CID 3160085
N-(1-Phenyl-ethyl)-N'-thiazol-2-yl-oxalamide
CID 5096351
2-phenyl-2-(1-pyrrolidinyl)-N-(1,3-thiazol-2-yl)acetamide
CID 5168984

Frequently Asked Questions

What is the IUPAC name of 3-(2-phenylethyl)-5-(1,3-thiazol-2-ylamino)-5-(trifluoromethyl)imidazolidine-2,4-dione?
The IUPAC name of 3-(2-phenylethyl)-5-(1,3-thiazol-2-ylamino)-5-(trifluoromethyl)imidazolidine-2,4-dione (CID 664219) is 3-(2-phenylethyl)-5-(1,3-thiazol-2-ylamino)-5-(trifluoromethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-(2-phenylethyl)-5-(1,3-thiazol-2-ylamino)-5-(trifluoromethyl)imidazolidine-2,4-dione?
The canonical SMILES for 3-(2-phenylethyl)-5-(1,3-thiazol-2-ylamino)-5-(trifluoromethyl)imidazolidine-2,4-dione is O=C1NC(Nc2nccs2)(C(F)(F)F)C(=O)N1CCc1ccccc1.
What is the InChIKey of 3-(2-phenylethyl)-5-(1,3-thiazol-2-ylamino)-5-(trifluoromethyl)imidazolidine-2,4-dione?
The InChIKey is QRSJJXZBGGJTJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N4O2S/c16-15(17,18)14(20-12-19-7-9-25-12)11(23)22(13(24)21-14)8-6-10-4-2-1-3-5-10/h1-5,7,9H,6,8H2,(H,19,20)(H,21,24).
What are the key properties of 3-(2-phenylethyl)-5-(1,3-thiazol-2-ylamino)-5-(trifluoromethyl)imidazolidine-2,4-dione?
3-(2-phenylethyl)-5-(1,3-thiazol-2-ylamino)-5-(trifluoromethyl)imidazolidine-2,4-dione has a molecular weight of 370.36 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenylethyl)-5-(1,3-thiazol-2-ylamino)-5-(trifluoromethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 664219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).