sodium;hydride;2H-1,3-thiazole-3-carboxylic acid

C4H6NNaO2S — CID 174751276

IUPACsodium;hydride;2H-1,3-thiazole-3-carboxylic acid
SMILESO=C(O)N1C=CSC1.[H-].[Na+]
InChIInChI=1S/C4H5NO2S.Na.H/c6-4(7)5-1-2-8-3-5;;/h1-2H,3H2,(H,6,7);;/q;+1;-1
InChIKeyWDKHECHAYHZWNF-UHFFFAOYSA-N
MW155.15 g/mol
LogP-1.74
Rot. Bonds

About sodium;hydride;2H-1,3-thiazole-3-carboxylic acid

sodium;hydride;2H-1,3-thiazole-3-carboxylic acid (PubChem CID 174751276) has the molecular formula C4H6NNaO2S and a molecular weight of 155.15 g/mol. Its IUPAC name is sodium;hydride;2H-1,3-thiazole-3-carboxylic acid.

Molecular Properties

Compound Namesodium;hydride;2H-1,3-thiazole-3-carboxylic acid
PubChem CID174751276
Molecular FormulaC4H6NNaO2S
Molecular Weight155.15 g/mol
Exact Mass155.00
IUPAC Namesodium;hydride;2H-1,3-thiazole-3-carboxylic acid
SMILESO=C(O)N1C=CSC1.[H-].[Na+]
InChIInChI=1S/C4H5NO2S.Na.H/c6-4(7)5-1-2-8-3-5;;/h1-2H,3H2,(H,6,7);;/q;+1;-1
InChIKeyWDKHECHAYHZWNF-UHFFFAOYSA-N
XLogP-1.74
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.15
LogP ≤ 5-1.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of sodium;hydride;2H-1,3-thiazole-3-carboxylic acid?
The IUPAC name of sodium;hydride;2H-1,3-thiazole-3-carboxylic acid (CID 174751276) is sodium;hydride;2H-1,3-thiazole-3-carboxylic acid.
What is the SMILES notation for sodium;hydride;2H-1,3-thiazole-3-carboxylic acid?
The canonical SMILES for sodium;hydride;2H-1,3-thiazole-3-carboxylic acid is O=C(O)N1C=CSC1.[H-].[Na+].
What is the InChIKey of sodium;hydride;2H-1,3-thiazole-3-carboxylic acid?
The InChIKey is WDKHECHAYHZWNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO2S.Na.H/c6-4(7)5-1-2-8-3-5;;/h1-2H,3H2,(H,6,7);;/q;+1;-1.
What are the key properties of sodium;hydride;2H-1,3-thiazole-3-carboxylic acid?
sodium;hydride;2H-1,3-thiazole-3-carboxylic acid has a molecular weight of 155.15 g/mol, XLogP of -1.74, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;2H-1,3-thiazole-3-carboxylic acid is sourced from PubChem (CID 174751276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).