sodium 2-(2-methoxy-1,3-thiazol-4-yl)acetate

C6H6NNaO3S — CID 90150897

IUPACsodium 2-(2-methoxy-1,3-thiazol-4-yl)acetate
SMILESCOc1nc(CC(=O)[O-])cs1.[Na+]
InChIInChI=1S/C6H7NO3S.Na/c1-10-6-7-4(3-11-6)2-5(8)9;/h3H,2H2,1H3,(H,8,9);/q;+1/p-1
InChIKeyYBMCLUNBAGMXSA-UHFFFAOYSA-M
MW195.17 g/mol
LogP-3.55
Rot. Bonds3

About sodium 2-(2-methoxy-1,3-thiazol-4-yl)acetate

sodium 2-(2-methoxy-1,3-thiazol-4-yl)acetate (PubChem CID 90150897) has the molecular formula C6H6NNaO3S and a molecular weight of 195.17 g/mol. Its IUPAC name is sodium 2-(2-methoxy-1,3-thiazol-4-yl)acetate.

Molecular Properties

Compound Namesodium 2-(2-methoxy-1,3-thiazol-4-yl)acetate
PubChem CID90150897
Molecular FormulaC6H6NNaO3S
Molecular Weight195.17 g/mol
Exact Mass195.00
IUPAC Namesodium 2-(2-methoxy-1,3-thiazol-4-yl)acetate
SMILESCOc1nc(CC(=O)[O-])cs1.[Na+]
InChIInChI=1S/C6H7NO3S.Na/c1-10-6-7-4(3-11-6)2-5(8)9;/h3H,2H2,1H3,(H,8,9);/q;+1/p-1
InChIKeyYBMCLUNBAGMXSA-UHFFFAOYSA-M
XLogP-3.55
TPSA62.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.17
LogP ≤ 5-3.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of sodium 2-(2-methoxy-1,3-thiazol-4-yl)acetate?
The IUPAC name of sodium 2-(2-methoxy-1,3-thiazol-4-yl)acetate (CID 90150897) is sodium 2-(2-methoxy-1,3-thiazol-4-yl)acetate.
What is the SMILES notation for sodium 2-(2-methoxy-1,3-thiazol-4-yl)acetate?
The canonical SMILES for sodium 2-(2-methoxy-1,3-thiazol-4-yl)acetate is COc1nc(CC(=O)[O-])cs1.[Na+].
What is the InChIKey of sodium 2-(2-methoxy-1,3-thiazol-4-yl)acetate?
The InChIKey is YBMCLUNBAGMXSA-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H7NO3S.Na/c1-10-6-7-4(3-11-6)2-5(8)9;/h3H,2H2,1H3,(H,8,9);/q;+1/p-1.
What are the key properties of sodium 2-(2-methoxy-1,3-thiazol-4-yl)acetate?
sodium 2-(2-methoxy-1,3-thiazol-4-yl)acetate has a molecular weight of 195.17 g/mol, XLogP of -3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-(2-methoxy-1,3-thiazol-4-yl)acetate is sourced from PubChem (CID 90150897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).