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

C5H7N3O2S — CID 22027929

IUPACmethyl 2-(5-amino-1,2,4-thiadiazol-3-yl)acetate
SMILESCOC(=O)Cc1nsc(N)n1
InChIInChI=1S/C5H7N3O2S/c1-10-4(9)2-3-7-5(6)11-8-3/h2H2,1H3,(H2,6,7,8)
InChIKeyNIEKSYSQQBUVDT-UHFFFAOYSA-N
MW173.20 g/mol
LogP-0.16
Rot. Bonds2

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

methyl 2-(5-amino-1,2,4-thiadiazol-3-yl)acetate (PubChem CID 22027929) has the molecular formula C5H7N3O2S and a molecular weight of 173.20 g/mol. Its IUPAC name is methyl 2-(5-amino-1,2,4-thiadiazol-3-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(5-amino-1,2,4-thiadiazol-3-yl)acetate
PubChem CID22027929
Molecular FormulaC5H7N3O2S
Molecular Weight173.20 g/mol
Exact Mass173.03
IUPAC Namemethyl 2-(5-amino-1,2,4-thiadiazol-3-yl)acetate
SMILESCOC(=O)Cc1nsc(N)n1
InChIInChI=1S/C5H7N3O2S/c1-10-4(9)2-3-7-5(6)11-8-3/h2H2,1H3,(H2,6,7,8)
InChIKeyNIEKSYSQQBUVDT-UHFFFAOYSA-N
XLogP-0.16
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 ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-(5-amino-1,2,4-thiadiazol-3-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 methyl 2-(5-amino-1,2,4-thiadiazol-3-yl)acetate?
The IUPAC name of methyl 2-(5-amino-1,2,4-thiadiazol-3-yl)acetate (CID 22027929) is methyl 2-(5-amino-1,2,4-thiadiazol-3-yl)acetate.
What is the SMILES notation for methyl 2-(5-amino-1,2,4-thiadiazol-3-yl)acetate?
The canonical SMILES for methyl 2-(5-amino-1,2,4-thiadiazol-3-yl)acetate is COC(=O)Cc1nsc(N)n1.
What is the InChIKey of methyl 2-(5-amino-1,2,4-thiadiazol-3-yl)acetate?
The InChIKey is NIEKSYSQQBUVDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O2S/c1-10-4(9)2-3-7-5(6)11-8-3/h2H2,1H3,(H2,6,7,8).
What are the key properties of methyl 2-(5-amino-1,2,4-thiadiazol-3-yl)acetate?
methyl 2-(5-amino-1,2,4-thiadiazol-3-yl)acetate has a molecular weight of 173.20 g/mol, XLogP of -0.16, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-amino-1,2,4-thiadiazol-3-yl)acetate is sourced from PubChem (CID 22027929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).