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

C8H6ClF3N4O2S — CID 80611184

IUPAC3-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione
SMILESCC1(C(F)(F)F)NC(=O)N(Cc2nnc(Cl)s2)C1=O
InChIInChI=1S/C8H6ClF3N4O2S/c1-7(8(10,11)12)4(17)16(6(18)13-7)2-3-14-15-5(9)19-3/h2H2,1H3,(H,13,18)
InChIKeyWLMMKNZGJYDMFP-UHFFFAOYSA-N
MW314.68 g/mol
LogP1.56
Rot. Bonds2

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

3-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione (PubChem CID 80611184) has the molecular formula C8H6ClF3N4O2S and a molecular weight of 314.68 g/mol. Its IUPAC name is 3-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione
PubChem CID80611184
Molecular FormulaC8H6ClF3N4O2S
Molecular Weight314.68 g/mol
Exact Mass313.99
IUPAC Name3-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione
SMILESCC1(C(F)(F)F)NC(=O)N(Cc2nnc(Cl)s2)C1=O
InChIInChI=1S/C8H6ClF3N4O2S/c1-7(8(10,11)12)4(17)16(6(18)13-7)2-3-14-15-5(9)19-3/h2H2,1H3,(H,13,18)
InChIKeyWLMMKNZGJYDMFP-UHFFFAOYSA-N
XLogP1.56
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.68
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-chloro-1,3,4-thiadiazol-2-yl)methyl]-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione?
The IUPAC name of 3-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione (CID 80611184) is 3-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione?
The canonical SMILES for 3-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione is CC1(C(F)(F)F)NC(=O)N(Cc2nnc(Cl)s2)C1=O.
What is the InChIKey of 3-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione?
The InChIKey is WLMMKNZGJYDMFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF3N4O2S/c1-7(8(10,11)12)4(17)16(6(18)13-7)2-3-14-15-5(9)19-3/h2H2,1H3,(H,13,18).
What are the key properties of 3-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione?
3-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione has a molecular weight of 314.68 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 80611184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).