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

C8H8F3N5O2S — CID 80608019

IUPAC3-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione
SMILESCC1(C(F)(F)F)NC(=O)N(Cc2nnc(N)s2)C1=O
InChIInChI=1S/C8H8F3N5O2S/c1-7(8(9,10)11)4(17)16(6(18)13-7)2-3-14-15-5(12)19-3/h2H2,1H3,(H2,12,15)(H,13,18)
InChIKeyDGQYNCPDSKTUKT-UHFFFAOYSA-N
MW295.25 g/mol
LogP0.49
Rot. Bonds2

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

3-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione (PubChem CID 80608019) has the molecular formula C8H8F3N5O2S and a molecular weight of 295.25 g/mol. Its IUPAC name is 3-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione
PubChem CID80608019
Molecular FormulaC8H8F3N5O2S
Molecular Weight295.25 g/mol
Exact Mass295.04
IUPAC Name3-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione
SMILESCC1(C(F)(F)F)NC(=O)N(Cc2nnc(N)s2)C1=O
InChIInChI=1S/C8H8F3N5O2S/c1-7(8(9,10)11)4(17)16(6(18)13-7)2-3-14-15-5(12)19-3/h2H2,1H3,(H2,12,15)(H,13,18)
InChIKeyDGQYNCPDSKTUKT-UHFFFAOYSA-N
XLogP0.49
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.25
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

N-tert-butyl-2-[[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]carbamoylamino]propanamide
CID 53610813
5-Methyl-3-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]-5-(trifluoromethyl)imidazolidine-2,4-dione
CID 80607921
3-[(5-Chloro-1,3,4-thiadiazol-2-yl)methyl]-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione
CID 80611184
3-[[5-(Ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione
CID 80611560
3-[(5-Hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione
CID 80613800
N-tert-butyl-2-[methyl-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]carbamoyl]amino]acetamide
CID 86987789
(2S)-N-tert-butyl-2-[[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]carbamoylamino]propanamide
CID 95334150
(2R)-N-tert-butyl-2-[[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]carbamoylamino]propanamide
CID 95334151
1-Pyrrolidin-1-yl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]propan-1-one
CID 114449757
N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxo-3-(2,2,2-trifluoroethyl)imidazolidine-1-carboxamide
CID 128058968
1-(1-Propanoylpyrrolidin-3-yl)-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea
CID 137924678
3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
CID 9169489

Frequently Asked Questions

What is the IUPAC name of 3-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione?
The IUPAC name of 3-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione (CID 80608019) is 3-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione?
The canonical SMILES for 3-[(5-amino-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(N)s2)C1=O.
What is the InChIKey of 3-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione?
The InChIKey is DGQYNCPDSKTUKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N5O2S/c1-7(8(9,10)11)4(17)16(6(18)13-7)2-3-14-15-5(12)19-3/h2H2,1H3,(H2,12,15)(H,13,18).
What are the key properties of 3-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione?
3-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione has a molecular weight of 295.25 g/mol, XLogP of 0.49, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 80608019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).