[2-(5-amino-1,3,4-thiadiazol-2-yl)-2-methylpropyl] 2-acetyloxyacetate

C10H15N3O4S — CID 19911910

IUPAC[2-(5-amino-1,3,4-thiadiazol-2-yl)-2-methylpropyl] 2-acetyloxyacetate
SMILESCC(=O)OCC(=O)OCC(C)(C)c1nnc(N)s1
InChIInChI=1S/C10H15N3O4S/c1-6(14)16-4-7(15)17-5-10(2,3)8-12-13-9(11)18-8/h4-5H2,1-3H3,(H2,11,13)
InChIKeyFMIFNGFWGZYLHS-UHFFFAOYSA-N
MW273.31 g/mol
LogP0.50
Rot. Bonds5

About [2-(5-amino-1,3,4-thiadiazol-2-yl)-2-methylpropyl] 2-acetyloxyacetate

[2-(5-amino-1,3,4-thiadiazol-2-yl)-2-methylpropyl] 2-acetyloxyacetate (PubChem CID 19911910) has the molecular formula C10H15N3O4S and a molecular weight of 273.31 g/mol. Its IUPAC name is [2-(5-amino-1,3,4-thiadiazol-2-yl)-2-methylpropyl] 2-acetyloxyacetate.

Molecular Properties

Compound Name[2-(5-amino-1,3,4-thiadiazol-2-yl)-2-methylpropyl] 2-acetyloxyacetate
PubChem CID19911910
Molecular FormulaC10H15N3O4S
Molecular Weight273.31 g/mol
Exact Mass273.08
IUPAC Name[2-(5-amino-1,3,4-thiadiazol-2-yl)-2-methylpropyl] 2-acetyloxyacetate
SMILESCC(=O)OCC(=O)OCC(C)(C)c1nnc(N)s1
InChIInChI=1S/C10H15N3O4S/c1-6(14)16-4-7(15)17-5-10(2,3)8-12-13-9(11)18-8/h4-5H2,1-3H3,(H2,11,13)
InChIKeyFMIFNGFWGZYLHS-UHFFFAOYSA-N
XLogP0.50
TPSA104.40 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [2-(5-amino-1,3,4-thiadiazol-2-yl)-2-methylpropyl] 2-acetyloxyacetate?
The IUPAC name of [2-(5-amino-1,3,4-thiadiazol-2-yl)-2-methylpropyl] 2-acetyloxyacetate (CID 19911910) is [2-(5-amino-1,3,4-thiadiazol-2-yl)-2-methylpropyl] 2-acetyloxyacetate.
What is the SMILES notation for [2-(5-amino-1,3,4-thiadiazol-2-yl)-2-methylpropyl] 2-acetyloxyacetate?
The canonical SMILES for [2-(5-amino-1,3,4-thiadiazol-2-yl)-2-methylpropyl] 2-acetyloxyacetate is CC(=O)OCC(=O)OCC(C)(C)c1nnc(N)s1.
What is the InChIKey of [2-(5-amino-1,3,4-thiadiazol-2-yl)-2-methylpropyl] 2-acetyloxyacetate?
The InChIKey is FMIFNGFWGZYLHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4S/c1-6(14)16-4-7(15)17-5-10(2,3)8-12-13-9(11)18-8/h4-5H2,1-3H3,(H2,11,13).
What are the key properties of [2-(5-amino-1,3,4-thiadiazol-2-yl)-2-methylpropyl] 2-acetyloxyacetate?
[2-(5-amino-1,3,4-thiadiazol-2-yl)-2-methylpropyl] 2-acetyloxyacetate has a molecular weight of 273.31 g/mol, XLogP of 0.50, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-amino-1,3,4-thiadiazol-2-yl)-2-methylpropyl] 2-acetyloxyacetate is sourced from PubChem (CID 19911910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).