[1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-methyl-2,5-dioxoimidazolidin-4-yl] acetate

C12H16N4O4S — CID 21318266

IUPAC[1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-methyl-2,5-dioxoimidazolidin-4-yl] acetate
SMILESCC(=O)OC1C(=O)N(c2nnc(C(C)(C)C)s2)C(=O)N1C
InChIInChI=1S/C12H16N4O4S/c1-6(17)20-8-7(18)16(11(19)15(8)5)10-14-13-9(21-10)12(2,3)4/h8H,1-5H3
InChIKeyOQBLGHYOGXCQDB-UHFFFAOYSA-N
MW312.35 g/mol
LogP1.12
Rot. Bonds2

About [1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-methyl-2,5-dioxoimidazolidin-4-yl] acetate

[1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-methyl-2,5-dioxoimidazolidin-4-yl] acetate (PubChem CID 21318266) has the molecular formula C12H16N4O4S and a molecular weight of 312.35 g/mol. Its IUPAC name is [1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-methyl-2,5-dioxoimidazolidin-4-yl] acetate.

Molecular Properties

Compound Name[1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-methyl-2,5-dioxoimidazolidin-4-yl] acetate
PubChem CID21318266
Molecular FormulaC12H16N4O4S
Molecular Weight312.35 g/mol
Exact Mass312.09
IUPAC Name[1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-methyl-2,5-dioxoimidazolidin-4-yl] acetate
SMILESCC(=O)OC1C(=O)N(c2nnc(C(C)(C)C)s2)C(=O)N1C
InChIInChI=1S/C12H16N4O4S/c1-6(17)20-8-7(18)16(11(19)15(8)5)10-14-13-9(21-10)12(2,3)4/h8H,1-5H3
InChIKeyOQBLGHYOGXCQDB-UHFFFAOYSA-N
XLogP1.12
TPSA92.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze [1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-methyl-2,5-dioxoimidazolidin-4-yl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-methyl-2,5-dioxoimidazolidin-4-yl] acetate?
The IUPAC name of [1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-methyl-2,5-dioxoimidazolidin-4-yl] acetate (CID 21318266) is [1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-methyl-2,5-dioxoimidazolidin-4-yl] acetate.
What is the SMILES notation for [1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-methyl-2,5-dioxoimidazolidin-4-yl] acetate?
The canonical SMILES for [1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-methyl-2,5-dioxoimidazolidin-4-yl] acetate is CC(=O)OC1C(=O)N(c2nnc(C(C)(C)C)s2)C(=O)N1C.
What is the InChIKey of [1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-methyl-2,5-dioxoimidazolidin-4-yl] acetate?
The InChIKey is OQBLGHYOGXCQDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O4S/c1-6(17)20-8-7(18)16(11(19)15(8)5)10-14-13-9(21-10)12(2,3)4/h8H,1-5H3.
What are the key properties of [1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-methyl-2,5-dioxoimidazolidin-4-yl] acetate?
[1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-methyl-2,5-dioxoimidazolidin-4-yl] acetate has a molecular weight of 312.35 g/mol, XLogP of 1.12, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-methyl-2,5-dioxoimidazolidin-4-yl] acetate is sourced from PubChem (CID 21318266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).