sodium;3-(5-amino-1,2,4-thiadiazol-3-yl)-2-methylpropanoic acid;hydride

C6H10N3NaO2S — CID 173377675

IUPACsodium;3-(5-amino-1,2,4-thiadiazol-3-yl)-2-methylpropanoic acid;hydride
SMILESCC(Cc1nsc(N)n1)C(=O)O.[H-].[Na+]
InChIInChI=1S/C6H9N3O2S.Na.H/c1-3(5(10)11)2-4-8-6(7)12-9-4;;/h3H,2H2,1H3,(H,10,11)(H2,7,8,9);;/q;+1;-1
InChIKeyJFYNHAXYFMDOOK-UHFFFAOYSA-N
MW211.22 g/mol
LogP-2.50
Rot. Bonds3

About sodium;3-(5-amino-1,2,4-thiadiazol-3-yl)-2-methylpropanoic acid;hydride

sodium;3-(5-amino-1,2,4-thiadiazol-3-yl)-2-methylpropanoic acid;hydride (PubChem CID 173377675) has the molecular formula C6H10N3NaO2S and a molecular weight of 211.22 g/mol. Its IUPAC name is sodium;3-(5-amino-1,2,4-thiadiazol-3-yl)-2-methylpropanoic acid;hydride.

Molecular Properties

Compound Namesodium;3-(5-amino-1,2,4-thiadiazol-3-yl)-2-methylpropanoic acid;hydride
PubChem CID173377675
Molecular FormulaC6H10N3NaO2S
Molecular Weight211.22 g/mol
Exact Mass211.04
IUPAC Namesodium;3-(5-amino-1,2,4-thiadiazol-3-yl)-2-methylpropanoic acid;hydride
SMILESCC(Cc1nsc(N)n1)C(=O)O.[H-].[Na+]
InChIInChI=1S/C6H9N3O2S.Na.H/c1-3(5(10)11)2-4-8-6(7)12-9-4;;/h3H,2H2,1H3,(H,10,11)(H2,7,8,9);;/q;+1;-1
InChIKeyJFYNHAXYFMDOOK-UHFFFAOYSA-N
XLogP-2.50
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-2.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze sodium;3-(5-amino-1,2,4-thiadiazol-3-yl)-2-methylpropanoic acid;hydride 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 sodium;3-(5-amino-1,2,4-thiadiazol-3-yl)-2-methylpropanoic acid;hydride?
The IUPAC name of sodium;3-(5-amino-1,2,4-thiadiazol-3-yl)-2-methylpropanoic acid;hydride (CID 173377675) is sodium;3-(5-amino-1,2,4-thiadiazol-3-yl)-2-methylpropanoic acid;hydride.
What is the SMILES notation for sodium;3-(5-amino-1,2,4-thiadiazol-3-yl)-2-methylpropanoic acid;hydride?
The canonical SMILES for sodium;3-(5-amino-1,2,4-thiadiazol-3-yl)-2-methylpropanoic acid;hydride is CC(Cc1nsc(N)n1)C(=O)O.[H-].[Na+].
What is the InChIKey of sodium;3-(5-amino-1,2,4-thiadiazol-3-yl)-2-methylpropanoic acid;hydride?
The InChIKey is JFYNHAXYFMDOOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2S.Na.H/c1-3(5(10)11)2-4-8-6(7)12-9-4;;/h3H,2H2,1H3,(H,10,11)(H2,7,8,9);;/q;+1;-1.
What are the key properties of sodium;3-(5-amino-1,2,4-thiadiazol-3-yl)-2-methylpropanoic acid;hydride?
sodium;3-(5-amino-1,2,4-thiadiazol-3-yl)-2-methylpropanoic acid;hydride has a molecular weight of 211.22 g/mol, XLogP of -2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;3-(5-amino-1,2,4-thiadiazol-3-yl)-2-methylpropanoic acid;hydride is sourced from PubChem (CID 173377675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).