sodium 5-methyl-1,3-thiazole-2-carboxylate

C5H4NNaO2S — CID 46911880

IUPACsodium 5-methyl-1,3-thiazole-2-carboxylate
SMILESCc1cnc(C(=O)[O-])s1.[Na+]
InChIInChI=1S/C5H5NO2S.Na/c1-3-2-6-4(9-3)5(7)8;/h2H,1H3,(H,7,8);/q;+1/p-1
InChIKeyBFKXLNYVOQXJJG-UHFFFAOYSA-M
MW165.15 g/mol
LogP-3.18
Rot. Bonds1

About sodium 5-methyl-1,3-thiazole-2-carboxylate

sodium 5-methyl-1,3-thiazole-2-carboxylate (PubChem CID 46911880) has the molecular formula C5H4NNaO2S and a molecular weight of 165.15 g/mol. Its IUPAC name is sodium 5-methyl-1,3-thiazole-2-carboxylate.

Molecular Properties

Compound Namesodium 5-methyl-1,3-thiazole-2-carboxylate
PubChem CID46911880
Molecular FormulaC5H4NNaO2S
Molecular Weight165.15 g/mol
Exact Mass164.99
IUPAC Namesodium 5-methyl-1,3-thiazole-2-carboxylate
SMILESCc1cnc(C(=O)[O-])s1.[Na+]
InChIInChI=1S/C5H5NO2S.Na/c1-3-2-6-4(9-3)5(7)8;/h2H,1H3,(H,7,8);/q;+1/p-1
InChIKeyBFKXLNYVOQXJJG-UHFFFAOYSA-M
XLogP-3.18
TPSA53.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.15
LogP ≤ 5-3.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of sodium 5-methyl-1,3-thiazole-2-carboxylate?
The IUPAC name of sodium 5-methyl-1,3-thiazole-2-carboxylate (CID 46911880) is sodium 5-methyl-1,3-thiazole-2-carboxylate.
What is the SMILES notation for sodium 5-methyl-1,3-thiazole-2-carboxylate?
The canonical SMILES for sodium 5-methyl-1,3-thiazole-2-carboxylate is Cc1cnc(C(=O)[O-])s1.[Na+].
What is the InChIKey of sodium 5-methyl-1,3-thiazole-2-carboxylate?
The InChIKey is BFKXLNYVOQXJJG-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H5NO2S.Na/c1-3-2-6-4(9-3)5(7)8;/h2H,1H3,(H,7,8);/q;+1/p-1.
What are the key properties of sodium 5-methyl-1,3-thiazole-2-carboxylate?
sodium 5-methyl-1,3-thiazole-2-carboxylate has a molecular weight of 165.15 g/mol, XLogP of -3.18, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 5-methyl-1,3-thiazole-2-carboxylate is sourced from PubChem (CID 46911880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).