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

C8H9F3N6O2S — CID 80613800

IUPAC3-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione
SMILESCC1(C(F)(F)F)NC(=O)N(Cc2nnc(NN)s2)C1=O
InChIInChI=1S/C8H9F3N6O2S/c1-7(8(9,10)11)4(18)17(6(19)13-7)2-3-15-16-5(14-12)20-3/h2,12H2,1H3,(H,13,19)(H,14,16)
InChIKeyYWWVTDLZRJBABH-UHFFFAOYSA-N
MW310.26 g/mol
LogP0.20
Rot. Bonds3

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

3-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione (PubChem CID 80613800) has the molecular formula C8H9F3N6O2S and a molecular weight of 310.26 g/mol. Its IUPAC name is 3-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione
PubChem CID80613800
Molecular FormulaC8H9F3N6O2S
Molecular Weight310.26 g/mol
Exact Mass310.05
IUPAC Name3-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione
SMILESCC1(C(F)(F)F)NC(=O)N(Cc2nnc(NN)s2)C1=O
InChIInChI=1S/C8H9F3N6O2S/c1-7(8(9,10)11)4(18)17(6(19)13-7)2-3-15-16-5(14-12)20-3/h2,12H2,1H3,(H,13,19)(H,14,16)
InChIKeyYWWVTDLZRJBABH-UHFFFAOYSA-N
XLogP0.20
TPSA113.24 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.26
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione?
The IUPAC name of 3-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione (CID 80613800) is 3-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione?
The canonical SMILES for 3-[(5-hydrazinyl-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(NN)s2)C1=O.
What is the InChIKey of 3-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione?
The InChIKey is YWWVTDLZRJBABH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N6O2S/c1-7(8(9,10)11)4(18)17(6(19)13-7)2-3-15-16-5(14-12)20-3/h2,12H2,1H3,(H,13,19)(H,14,16).
What are the key properties of 3-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione?
3-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione has a molecular weight of 310.26 g/mol, XLogP of 0.20, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 80613800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).