5-tert-butyl-3-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]imidazolidine-2,4-dione

C13H16F3N3O2S — CID 75498394

IUPAC5-tert-butyl-3-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]imidazolidine-2,4-dione
SMILESCC(C)(C)C1NC(=O)N(CCc2nc(C(F)(F)F)cs2)C1=O
InChIInChI=1S/C13H16F3N3O2S/c1-12(2,3)9-10(20)19(11(21)18-9)5-4-8-17-7(6-22-8)13(14,15)16/h6,9H,4-5H2,1-3H3,(H,18,21)
InChIKeyUMDWXNWUCGDHAI-UHFFFAOYSA-N
MW335.35 g/mol
LogP2.67
Rot. Bonds3

About 5-tert-butyl-3-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]imidazolidine-2,4-dione

5-tert-butyl-3-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]imidazolidine-2,4-dione (PubChem CID 75498394) has the molecular formula C13H16F3N3O2S and a molecular weight of 335.35 g/mol. Its IUPAC name is 5-tert-butyl-3-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-tert-butyl-3-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]imidazolidine-2,4-dione
PubChem CID75498394
Molecular FormulaC13H16F3N3O2S
Molecular Weight335.35 g/mol
Exact Mass335.09
IUPAC Name5-tert-butyl-3-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]imidazolidine-2,4-dione
SMILESCC(C)(C)C1NC(=O)N(CCc2nc(C(F)(F)F)cs2)C1=O
InChIInChI=1S/C13H16F3N3O2S/c1-12(2,3)9-10(20)19(11(21)18-9)5-4-8-17-7(6-22-8)13(14,15)16/h6,9H,4-5H2,1-3H3,(H,18,21)
InChIKeyUMDWXNWUCGDHAI-UHFFFAOYSA-N
XLogP2.67
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.35
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]imidazolidine-2,4-dione?
The IUPAC name of 5-tert-butyl-3-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]imidazolidine-2,4-dione (CID 75498394) is 5-tert-butyl-3-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-tert-butyl-3-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-tert-butyl-3-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]imidazolidine-2,4-dione is CC(C)(C)C1NC(=O)N(CCc2nc(C(F)(F)F)cs2)C1=O.
What is the InChIKey of 5-tert-butyl-3-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]imidazolidine-2,4-dione?
The InChIKey is UMDWXNWUCGDHAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3O2S/c1-12(2,3)9-10(20)19(11(21)18-9)5-4-8-17-7(6-22-8)13(14,15)16/h6,9H,4-5H2,1-3H3,(H,18,21).
What are the key properties of 5-tert-butyl-3-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]imidazolidine-2,4-dione?
5-tert-butyl-3-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]imidazolidine-2,4-dione has a molecular weight of 335.35 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 75498394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).