(5-amino-1,2,4-thiadiazol-3-yl)methyl acetate

C5H7N3O2S — CID 174695288

IUPAC(5-amino-1,2,4-thiadiazol-3-yl)methyl acetate
SMILESCC(=O)OCc1nsc(N)n1
InChIInChI=1S/C5H7N3O2S/c1-3(9)10-2-4-7-5(6)11-8-4/h2H2,1H3,(H2,6,7,8)
InChIKeyMXFHGGWHTCLOCI-UHFFFAOYSA-N
MW173.20 g/mol
LogP0.18
Rot. Bonds2

About (5-amino-1,2,4-thiadiazol-3-yl)methyl acetate

(5-amino-1,2,4-thiadiazol-3-yl)methyl acetate (PubChem CID 174695288) has the molecular formula C5H7N3O2S and a molecular weight of 173.20 g/mol. Its IUPAC name is (5-amino-1,2,4-thiadiazol-3-yl)methyl acetate.

Molecular Properties

Compound Name(5-amino-1,2,4-thiadiazol-3-yl)methyl acetate
PubChem CID174695288
Molecular FormulaC5H7N3O2S
Molecular Weight173.20 g/mol
Exact Mass173.03
IUPAC Name(5-amino-1,2,4-thiadiazol-3-yl)methyl acetate
SMILESCC(=O)OCc1nsc(N)n1
InChIInChI=1S/C5H7N3O2S/c1-3(9)10-2-4-7-5(6)11-8-4/h2H2,1H3,(H2,6,7,8)
InChIKeyMXFHGGWHTCLOCI-UHFFFAOYSA-N
XLogP0.18
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.20
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5-amino-1,2,4-thiadiazol-3-yl)methyl acetate?
The IUPAC name of (5-amino-1,2,4-thiadiazol-3-yl)methyl acetate (CID 174695288) is (5-amino-1,2,4-thiadiazol-3-yl)methyl acetate.
What is the SMILES notation for (5-amino-1,2,4-thiadiazol-3-yl)methyl acetate?
The canonical SMILES for (5-amino-1,2,4-thiadiazol-3-yl)methyl acetate is CC(=O)OCc1nsc(N)n1.
What is the InChIKey of (5-amino-1,2,4-thiadiazol-3-yl)methyl acetate?
The InChIKey is MXFHGGWHTCLOCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O2S/c1-3(9)10-2-4-7-5(6)11-8-4/h2H2,1H3,(H2,6,7,8).
What are the key properties of (5-amino-1,2,4-thiadiazol-3-yl)methyl acetate?
(5-amino-1,2,4-thiadiazol-3-yl)methyl acetate has a molecular weight of 173.20 g/mol, XLogP of 0.18, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-1,2,4-thiadiazol-3-yl)methyl acetate is sourced from PubChem (CID 174695288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).