sodium 1,3-thiazole-2-carboxylate

C4H2NNaO2S — CID 23687171

IUPACsodium 1,3-thiazole-2-carboxylate
SMILESO=C([O-])c1nccs1.[Na+]
InChIInChI=1S/C4H3NO2S.Na/c6-4(7)3-5-1-2-8-3;/h1-2H,(H,6,7);/q;+1/p-1
InChIKeyHPPZVDKRGXYZEF-UHFFFAOYSA-M
MW151.12 g/mol
LogP-3.49
Rot. Bonds1

About sodium 1,3-thiazole-2-carboxylate

sodium 1,3-thiazole-2-carboxylate (PubChem CID 23687171) has the molecular formula C4H2NNaO2S and a molecular weight of 151.12 g/mol. Its IUPAC name is sodium 1,3-thiazole-2-carboxylate.

Molecular Properties

Compound Namesodium 1,3-thiazole-2-carboxylate
PubChem CID23687171
Molecular FormulaC4H2NNaO2S
Molecular Weight151.12 g/mol
Exact Mass150.97
IUPAC Namesodium 1,3-thiazole-2-carboxylate
SMILESO=C([O-])c1nccs1.[Na+]
InChIInChI=1S/C4H3NO2S.Na/c6-4(7)3-5-1-2-8-3;/h1-2H,(H,6,7);/q;+1/p-1
InChIKeyHPPZVDKRGXYZEF-UHFFFAOYSA-M
XLogP-3.49
TPSA53.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.12
LogP ≤ 5-3.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of sodium 1,3-thiazole-2-carboxylate?
The IUPAC name of sodium 1,3-thiazole-2-carboxylate (CID 23687171) is sodium 1,3-thiazole-2-carboxylate.
What is the SMILES notation for sodium 1,3-thiazole-2-carboxylate?
The canonical SMILES for sodium 1,3-thiazole-2-carboxylate is O=C([O-])c1nccs1.[Na+].
What is the InChIKey of sodium 1,3-thiazole-2-carboxylate?
The InChIKey is HPPZVDKRGXYZEF-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H3NO2S.Na/c6-4(7)3-5-1-2-8-3;/h1-2H,(H,6,7);/q;+1/p-1.
What are the key properties of sodium 1,3-thiazole-2-carboxylate?
sodium 1,3-thiazole-2-carboxylate has a molecular weight of 151.12 g/mol, XLogP of -3.49, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 1,3-thiazole-2-carboxylate is sourced from PubChem (CID 23687171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).