sodium 2-methyl-2-(1,3-thiazol-2-yl)propanoate

C7H8NNaO2S — CID 134690995

IUPACsodium 2-methyl-2-(1,3-thiazol-2-yl)propanoate
SMILESCC(C)(C(=O)[O-])c1nccs1.[Na+]
InChIInChI=1S/C7H9NO2S.Na/c1-7(2,6(9)10)5-8-3-4-11-5;/h3-4H,1-2H3,(H,9,10);/q;+1/p-1
InChIKeyCQLZZLYXUNFNFT-UHFFFAOYSA-M
MW193.20 g/mol
LogP-2.83
Rot. Bonds2

About sodium 2-methyl-2-(1,3-thiazol-2-yl)propanoate

sodium 2-methyl-2-(1,3-thiazol-2-yl)propanoate (PubChem CID 134690995) has the molecular formula C7H8NNaO2S and a molecular weight of 193.20 g/mol. Its IUPAC name is sodium 2-methyl-2-(1,3-thiazol-2-yl)propanoate.

Molecular Properties

Compound Namesodium 2-methyl-2-(1,3-thiazol-2-yl)propanoate
PubChem CID134690995
Molecular FormulaC7H8NNaO2S
Molecular Weight193.20 g/mol
Exact Mass193.02
IUPAC Namesodium 2-methyl-2-(1,3-thiazol-2-yl)propanoate
SMILESCC(C)(C(=O)[O-])c1nccs1.[Na+]
InChIInChI=1S/C7H9NO2S.Na/c1-7(2,6(9)10)5-8-3-4-11-5;/h3-4H,1-2H3,(H,9,10);/q;+1/p-1
InChIKeyCQLZZLYXUNFNFT-UHFFFAOYSA-M
XLogP-2.83
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 ≤ 5-2.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(Tert-butyl)thiazole
CID 580980
2-Thiazoleacetic acid
CID 21220663
Cyclopropanecarboxylic acid, 1-(2-thiazolyl)-
CID 67256098
Sodium 2-(1,3-thiazol-2-yl)acetate
CID 73994900
Methyl 2-(1,3-thiazol-2-yl)acetate hydrochloride
CID 91654387
Methyl 2-methyl-2-(1,3-thiazol-2-yl)propanoate
CID 116987083
[(E)-1-(1,3-thiazol-2-yl)ethylideneamino] acetate
CID 6080248
[1-(1,3-Thiazol-2-yl)ethylideneamino] acetate
CID 2806061
Potassium 2-(1,3-thiazol-2-yl)propanoate
CID 137943676
[(Z)-1-(1,3-thiazol-2-yl)ethylideneamino] acetate
CID 5714050
Methyl 2-(1,3-thiazol-2-yl)propanoate
CID 13331888
Ethyl (1,3-thiazol-2-yl)acetate
CID 21835228

Frequently Asked Questions

What is the IUPAC name of sodium 2-methyl-2-(1,3-thiazol-2-yl)propanoate?
The IUPAC name of sodium 2-methyl-2-(1,3-thiazol-2-yl)propanoate (CID 134690995) is sodium 2-methyl-2-(1,3-thiazol-2-yl)propanoate.
What is the SMILES notation for sodium 2-methyl-2-(1,3-thiazol-2-yl)propanoate?
The canonical SMILES for sodium 2-methyl-2-(1,3-thiazol-2-yl)propanoate is CC(C)(C(=O)[O-])c1nccs1.[Na+].
What is the InChIKey of sodium 2-methyl-2-(1,3-thiazol-2-yl)propanoate?
The InChIKey is CQLZZLYXUNFNFT-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H9NO2S.Na/c1-7(2,6(9)10)5-8-3-4-11-5;/h3-4H,1-2H3,(H,9,10);/q;+1/p-1.
What are the key properties of sodium 2-methyl-2-(1,3-thiazol-2-yl)propanoate?
sodium 2-methyl-2-(1,3-thiazol-2-yl)propanoate has a molecular weight of 193.20 g/mol, XLogP of -2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-methyl-2-(1,3-thiazol-2-yl)propanoate is sourced from PubChem (CID 134690995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).