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

C8H6F3N3O2S — CID 121320449

IUPAC1-methyl-3-[5-(trifluoromethyl)-1,3-thiazol-2-yl]imidazolidine-2,4-dione
SMILESCN1CC(=O)N(c2ncc(C(F)(F)F)s2)C1=O
InChIInChI=1S/C8H6F3N3O2S/c1-13-3-5(15)14(7(13)16)6-12-2-4(17-6)8(9,10)11/h2H,3H2,1H3
InChIKeyGNNCVCXCQDSNOY-UHFFFAOYSA-N
MW265.22 g/mol
LogP1.56
Rot. Bonds1

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

1-methyl-3-[5-(trifluoromethyl)-1,3-thiazol-2-yl]imidazolidine-2,4-dione (PubChem CID 121320449) has the molecular formula C8H6F3N3O2S and a molecular weight of 265.22 g/mol. Its IUPAC name is 1-methyl-3-[5-(trifluoromethyl)-1,3-thiazol-2-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-methyl-3-[5-(trifluoromethyl)-1,3-thiazol-2-yl]imidazolidine-2,4-dione
PubChem CID121320449
Molecular FormulaC8H6F3N3O2S
Molecular Weight265.22 g/mol
Exact Mass265.01
IUPAC Name1-methyl-3-[5-(trifluoromethyl)-1,3-thiazol-2-yl]imidazolidine-2,4-dione
SMILESCN1CC(=O)N(c2ncc(C(F)(F)F)s2)C1=O
InChIInChI=1S/C8H6F3N3O2S/c1-13-3-5(15)14(7(13)16)6-12-2-4(17-6)8(9,10)11/h2H,3H2,1H3
InChIKeyGNNCVCXCQDSNOY-UHFFFAOYSA-N
XLogP1.56
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.22
LogP ≤ 51.56
H-Bond Donors ≤ 50
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 1-methyl-3-[5-(trifluoromethyl)-1,3-thiazol-2-yl]imidazolidine-2,4-dione?
The IUPAC name of 1-methyl-3-[5-(trifluoromethyl)-1,3-thiazol-2-yl]imidazolidine-2,4-dione (CID 121320449) is 1-methyl-3-[5-(trifluoromethyl)-1,3-thiazol-2-yl]imidazolidine-2,4-dione.
What is the SMILES notation for 1-methyl-3-[5-(trifluoromethyl)-1,3-thiazol-2-yl]imidazolidine-2,4-dione?
The canonical SMILES for 1-methyl-3-[5-(trifluoromethyl)-1,3-thiazol-2-yl]imidazolidine-2,4-dione is CN1CC(=O)N(c2ncc(C(F)(F)F)s2)C1=O.
What is the InChIKey of 1-methyl-3-[5-(trifluoromethyl)-1,3-thiazol-2-yl]imidazolidine-2,4-dione?
The InChIKey is GNNCVCXCQDSNOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3N3O2S/c1-13-3-5(15)14(7(13)16)6-12-2-4(17-6)8(9,10)11/h2H,3H2,1H3.
What are the key properties of 1-methyl-3-[5-(trifluoromethyl)-1,3-thiazol-2-yl]imidazolidine-2,4-dione?
1-methyl-3-[5-(trifluoromethyl)-1,3-thiazol-2-yl]imidazolidine-2,4-dione has a molecular weight of 265.22 g/mol, XLogP of 1.56, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[5-(trifluoromethyl)-1,3-thiazol-2-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 121320449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).