sodium 2-(4,5-dimethyl-1,3-thiazol-2-yl)acetate

C7H8NNaO2S — CID 47003310

IUPACsodium 2-(4,5-dimethyl-1,3-thiazol-2-yl)acetate
SMILESCc1nc(CC(=O)[O-])sc1C.[Na+]
InChIInChI=1S/C7H9NO2S.Na/c1-4-5(2)11-6(8-4)3-7(9)10;/h3H2,1-2H3,(H,9,10);/q;+1/p-1
InChIKeyACMAJNIXAAVCIL-UHFFFAOYSA-M
MW193.20 g/mol
LogP-2.94
Rot. Bonds2

About sodium 2-(4,5-dimethyl-1,3-thiazol-2-yl)acetate

sodium 2-(4,5-dimethyl-1,3-thiazol-2-yl)acetate (PubChem CID 47003310) has the molecular formula C7H8NNaO2S and a molecular weight of 193.20 g/mol. Its IUPAC name is sodium 2-(4,5-dimethyl-1,3-thiazol-2-yl)acetate.

Molecular Properties

Compound Namesodium 2-(4,5-dimethyl-1,3-thiazol-2-yl)acetate
PubChem CID47003310
Molecular FormulaC7H8NNaO2S
Molecular Weight193.20 g/mol
Exact Mass193.02
IUPAC Namesodium 2-(4,5-dimethyl-1,3-thiazol-2-yl)acetate
SMILESCc1nc(CC(=O)[O-])sc1C.[Na+]
InChIInChI=1S/C7H9NO2S.Na/c1-4-5(2)11-6(8-4)3-7(9)10;/h3H2,1-2H3,(H,9,10);/q;+1/p-1
InChIKeyACMAJNIXAAVCIL-UHFFFAOYSA-M
XLogP-2.94
TPSA53.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 5-2.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze sodium 2-(4,5-dimethyl-1,3-thiazol-2-yl)acetate 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 2-(4,5-dimethyl-1,3-thiazol-2-yl)acetate?
The IUPAC name of sodium 2-(4,5-dimethyl-1,3-thiazol-2-yl)acetate (CID 47003310) is sodium 2-(4,5-dimethyl-1,3-thiazol-2-yl)acetate.
What is the SMILES notation for sodium 2-(4,5-dimethyl-1,3-thiazol-2-yl)acetate?
The canonical SMILES for sodium 2-(4,5-dimethyl-1,3-thiazol-2-yl)acetate is Cc1nc(CC(=O)[O-])sc1C.[Na+].
What is the InChIKey of sodium 2-(4,5-dimethyl-1,3-thiazol-2-yl)acetate?
The InChIKey is ACMAJNIXAAVCIL-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H9NO2S.Na/c1-4-5(2)11-6(8-4)3-7(9)10;/h3H2,1-2H3,(H,9,10);/q;+1/p-1.
What are the key properties of sodium 2-(4,5-dimethyl-1,3-thiazol-2-yl)acetate?
sodium 2-(4,5-dimethyl-1,3-thiazol-2-yl)acetate has a molecular weight of 193.20 g/mol, XLogP of -2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-(4,5-dimethyl-1,3-thiazol-2-yl)acetate is sourced from PubChem (CID 47003310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).