sodium 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetate

C6H6NNaO2S2 — CID 84818244

IUPACsodium 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetate
SMILESCc1csc(SCC(=O)[O-])n1.[Na+]
InChIInChI=1S/C6H7NO2S2.Na/c1-4-2-10-6(7-4)11-3-5(8)9;/h2H,3H2,1H3,(H,8,9);/q;+1/p-1
InChIKeyHKPTWGVGEKDJCQ-UHFFFAOYSA-M
MW211.24 g/mol
LogP-2.70
Rot. Bonds3

About sodium 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetate

sodium 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetate (PubChem CID 84818244) has the molecular formula C6H6NNaO2S2 and a molecular weight of 211.24 g/mol. Its IUPAC name is sodium 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetate.

Molecular Properties

Compound Namesodium 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetate
PubChem CID84818244
Molecular FormulaC6H6NNaO2S2
Molecular Weight211.24 g/mol
Exact Mass210.97
IUPAC Namesodium 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetate
SMILESCc1csc(SCC(=O)[O-])n1.[Na+]
InChIInChI=1S/C6H7NO2S2.Na/c1-4-2-10-6(7-4)11-3-5(8)9;/h2H,3H2,1H3,(H,8,9);/q;+1/p-1
InChIKeyHKPTWGVGEKDJCQ-UHFFFAOYSA-M
XLogP-2.70
TPSA53.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 5-2.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-2-one
CID 43414039
N-(4-acetamidophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 4031072
1-(3,5-dimethylpiperidin-1-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone
CID 4235369
1-carbazol-9-yl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone
CID 3437222
N-(3,5-dichlorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 2532912
N-hexyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 47115851
potassium trifluoro-[3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]prop-1-en-2-yl]boranuide
CID 106746955
1-(3-fluorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone
CID 43226524
3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanehydrazide
CID 63582849
2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(prop-2-enylcarbamoyl)acetamide
CID 4815457
[(3S)-3-cyano-5-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-4-oxopent-1-en-2-yl]azanium
CID 7042789
N-(2,3-dimethylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 2532833

Frequently Asked Questions

What is the IUPAC name of sodium 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetate?
The IUPAC name of sodium 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetate (CID 84818244) is sodium 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetate.
What is the SMILES notation for sodium 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetate?
The canonical SMILES for sodium 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetate is Cc1csc(SCC(=O)[O-])n1.[Na+].
What is the InChIKey of sodium 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetate?
The InChIKey is HKPTWGVGEKDJCQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H7NO2S2.Na/c1-4-2-10-6(7-4)11-3-5(8)9;/h2H,3H2,1H3,(H,8,9);/q;+1/p-1.
What are the key properties of sodium 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetate?
sodium 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetate has a molecular weight of 211.24 g/mol, XLogP of -2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetate is sourced from PubChem (CID 84818244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).