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

C10H12F3N5O2S — CID 80611560

IUPAC3-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione
SMILESCCNc1nnc(CN2C(=O)NC(C)(C(F)(F)F)C2=O)s1
InChIInChI=1S/C10H12F3N5O2S/c1-3-14-7-17-16-5(21-7)4-18-6(19)9(2,10(11,12)13)15-8(18)20/h3-4H2,1-2H3,(H,14,17)(H,15,20)
InChIKeyUKFCHDDMYJTVAY-UHFFFAOYSA-N
MW323.30 g/mol
LogP1.34
Rot. Bonds4

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

3-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione (PubChem CID 80611560) has the molecular formula C10H12F3N5O2S and a molecular weight of 323.30 g/mol. Its IUPAC name is 3-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione
PubChem CID80611560
Molecular FormulaC10H12F3N5O2S
Molecular Weight323.30 g/mol
Exact Mass323.07
IUPAC Name3-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione
SMILESCCNc1nnc(CN2C(=O)NC(C)(C(F)(F)F)C2=O)s1
InChIInChI=1S/C10H12F3N5O2S/c1-3-14-7-17-16-5(21-7)4-18-6(19)9(2,10(11,12)13)15-8(18)20/h3-4H2,1-2H3,(H,14,17)(H,15,20)
InChIKeyUKFCHDDMYJTVAY-UHFFFAOYSA-N
XLogP1.34
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.30
LogP ≤ 51.34
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 3-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione?
The IUPAC name of 3-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione (CID 80611560) is 3-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione?
The canonical SMILES for 3-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione is CCNc1nnc(CN2C(=O)NC(C)(C(F)(F)F)C2=O)s1.
What is the InChIKey of 3-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione?
The InChIKey is UKFCHDDMYJTVAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N5O2S/c1-3-14-7-17-16-5(21-7)4-18-6(19)9(2,10(11,12)13)15-8(18)20/h3-4H2,1-2H3,(H,14,17)(H,15,20).
What are the key properties of 3-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione?
3-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione has a molecular weight of 323.30 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 80611560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).