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

C11H8NNaO2S — CID 4671727

IUPACsodium 2-(2-phenyl-1,3-thiazol-4-yl)acetate
SMILESO=C([O-])Cc1csc(-c2ccccc2)n1.[Na+]
InChIInChI=1S/C11H9NO2S.Na/c13-10(14)6-9-7-15-11(12-9)8-4-2-1-3-5-8;/h1-5,7H,6H2,(H,13,14);/q;+1/p-1
InChIKeyRJJLSGYHXXSKSD-UHFFFAOYSA-M
MW241.25 g/mol
LogP-1.89
Rot. Bonds3

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

sodium 2-(2-phenyl-1,3-thiazol-4-yl)acetate (PubChem CID 4671727) has the molecular formula C11H8NNaO2S and a molecular weight of 241.25 g/mol. Its IUPAC name is sodium 2-(2-phenyl-1,3-thiazol-4-yl)acetate.

Molecular Properties

Compound Namesodium 2-(2-phenyl-1,3-thiazol-4-yl)acetate
PubChem CID4671727
Molecular FormulaC11H8NNaO2S
Molecular Weight241.25 g/mol
Exact Mass241.02
IUPAC Namesodium 2-(2-phenyl-1,3-thiazol-4-yl)acetate
SMILESO=C([O-])Cc1csc(-c2ccccc2)n1.[Na+]
InChIInChI=1S/C11H9NO2S.Na/c13-10(14)6-9-7-15-11(12-9)8-4-2-1-3-5-8;/h1-5,7H,6H2,(H,13,14);/q;+1/p-1
InChIKeyRJJLSGYHXXSKSD-UHFFFAOYSA-M
XLogP-1.89
TPSA53.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 5-1.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[4-[(4-phenylphenoxy)methyl]phenyl]-1,3-thiazol-4-yl]acetate
CID 7745304
2-(2-phenyl-1,3-thiazol-4-yl)acetohydrazide
CID 2740630
2-(2-phenyl-1,3-thiazol-4-yl)-1-piperazin-1-ylethanone
CID 39286705
2-[2-[4-[(diethylazaniumyl)methyl]phenyl]-1,3-thiazol-4-yl]acetate
CID 39159760
N'-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]benzohydrazide
CID 4800325
4-ethyl-2-phenyl-1,3-thiazole
CID 5324799
(2-phenyl-1,3-thiazol-4-yl)methanamine;dihydrochloride
CID 13196628
ethane;4-ethyl-2-phenyl-1,3-thiazole
CID 91427044
4-ethyl-2-phenyl-1,3-thiazole;dihydrochloride
CID 118514483
2-(2-phenyl-1,3-thiazol-4-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 23610169
N-(2-chlorophenyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 8745943
(4-chlorophenyl) 2-(2-phenyl-1,3-thiazol-4-yl)acetate
CID 8764496

Frequently Asked Questions

What is the IUPAC name of sodium 2-(2-phenyl-1,3-thiazol-4-yl)acetate?
The IUPAC name of sodium 2-(2-phenyl-1,3-thiazol-4-yl)acetate (CID 4671727) is sodium 2-(2-phenyl-1,3-thiazol-4-yl)acetate.
What is the SMILES notation for sodium 2-(2-phenyl-1,3-thiazol-4-yl)acetate?
The canonical SMILES for sodium 2-(2-phenyl-1,3-thiazol-4-yl)acetate is O=C([O-])Cc1csc(-c2ccccc2)n1.[Na+].
What is the InChIKey of sodium 2-(2-phenyl-1,3-thiazol-4-yl)acetate?
The InChIKey is RJJLSGYHXXSKSD-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H9NO2S.Na/c13-10(14)6-9-7-15-11(12-9)8-4-2-1-3-5-8;/h1-5,7H,6H2,(H,13,14);/q;+1/p-1.
What are the key properties of sodium 2-(2-phenyl-1,3-thiazol-4-yl)acetate?
sodium 2-(2-phenyl-1,3-thiazol-4-yl)acetate has a molecular weight of 241.25 g/mol, XLogP of -1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-(2-phenyl-1,3-thiazol-4-yl)acetate is sourced from PubChem (CID 4671727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).