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

C9H10F3N5O2S — CID 80607921

IUPAC5-methyl-3-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]-5-(trifluoromethyl)imidazolidine-2,4-dione
SMILESCNc1nnc(CN2C(=O)NC(C)(C(F)(F)F)C2=O)s1
InChIInChI=1S/C9H10F3N5O2S/c1-8(9(10,11)12)5(18)17(7(19)14-8)3-4-15-16-6(13-2)20-4/h3H2,1-2H3,(H,13,16)(H,14,19)
InChIKeyUGRAMBSGUQFMPM-UHFFFAOYSA-N
MW309.27 g/mol
LogP0.95
Rot. Bonds3

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

5-methyl-3-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]-5-(trifluoromethyl)imidazolidine-2,4-dione (PubChem CID 80607921) has the molecular formula C9H10F3N5O2S and a molecular weight of 309.27 g/mol. Its IUPAC name is 5-methyl-3-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]-5-(trifluoromethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-3-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]-5-(trifluoromethyl)imidazolidine-2,4-dione
PubChem CID80607921
Molecular FormulaC9H10F3N5O2S
Molecular Weight309.27 g/mol
Exact Mass309.05
IUPAC Name5-methyl-3-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]-5-(trifluoromethyl)imidazolidine-2,4-dione
SMILESCNc1nnc(CN2C(=O)NC(C)(C(F)(F)F)C2=O)s1
InChIInChI=1S/C9H10F3N5O2S/c1-8(9(10,11)12)5(18)17(7(19)14-8)3-4-15-16-6(13-2)20-4/h3H2,1-2H3,(H,13,16)(H,14,19)
InChIKeyUGRAMBSGUQFMPM-UHFFFAOYSA-N
XLogP0.95
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.27
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-methyl-3-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]-5-(trifluoromethyl)imidazolidine-2,4-dione?
The IUPAC name of 5-methyl-3-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]-5-(trifluoromethyl)imidazolidine-2,4-dione (CID 80607921) is 5-methyl-3-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]-5-(trifluoromethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-methyl-3-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]-5-(trifluoromethyl)imidazolidine-2,4-dione?
The canonical SMILES for 5-methyl-3-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]-5-(trifluoromethyl)imidazolidine-2,4-dione is CNc1nnc(CN2C(=O)NC(C)(C(F)(F)F)C2=O)s1.
What is the InChIKey of 5-methyl-3-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]-5-(trifluoromethyl)imidazolidine-2,4-dione?
The InChIKey is UGRAMBSGUQFMPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N5O2S/c1-8(9(10,11)12)5(18)17(7(19)14-8)3-4-15-16-6(13-2)20-4/h3H2,1-2H3,(H,13,16)(H,14,19).
What are the key properties of 5-methyl-3-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]-5-(trifluoromethyl)imidazolidine-2,4-dione?
5-methyl-3-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]-5-(trifluoromethyl)imidazolidine-2,4-dione has a molecular weight of 309.27 g/mol, XLogP of 0.95, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]-5-(trifluoromethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 80607921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).