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

C6H3F3NNaO2S — CID 50987248

IUPACsodium 2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetate
SMILESO=C([O-])Cc1nc(C(F)(F)F)cs1.[Na+]
InChIInChI=1S/C6H4F3NO2S.Na/c7-6(8,9)3-2-13-4(10-3)1-5(11)12;/h2H,1H2,(H,11,12);/q;+1/p-1
InChIKeyUCKNFYUUHVFZAI-UHFFFAOYSA-M
MW233.15 g/mol
LogP-2.54
Rot. Bonds2

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

sodium 2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetate (PubChem CID 50987248) has the molecular formula C6H3F3NNaO2S and a molecular weight of 233.15 g/mol. Its IUPAC name is sodium 2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetate.

Molecular Properties

Compound Namesodium 2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetate
PubChem CID50987248
Molecular FormulaC6H3F3NNaO2S
Molecular Weight233.15 g/mol
Exact Mass232.97
IUPAC Namesodium 2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetate
SMILESO=C([O-])Cc1nc(C(F)(F)F)cs1.[Na+]
InChIInChI=1S/C6H4F3NO2S.Na/c7-6(8,9)3-2-13-4(10-3)1-5(11)12;/h2H,1H2,(H,11,12);/q;+1/p-1
InChIKeyUCKNFYUUHVFZAI-UHFFFAOYSA-M
XLogP-2.54
TPSA53.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.15
LogP ≤ 5-2.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 2-(4-methyl-1,3-thiazol-2-yl)acetate
CID 7130900
Ethyl 2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetate
CID 43535917
Sodium 2-(4-methyl-1,3-thiazol-2-yl)propanoate
CID 119031038
2-(4-Methylthiazol-2-yl)acetic acid
CID 4011301
Potassium 2-fluoro-2-(4-methyl-1,3-thiazol-2-yl)acetate
CID 75480791
Ethyl 2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanoate
CID 66751810
Ethyl 2-[4-(fluoromethyl)-1,3-thiazol-2-yl]acetate
CID 67486404
2-[4-(Difluoromethyl)-1,3-thiazol-2-yl]acetic acid
CID 84772560
2,2-Difluoro-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]acetic acid
CID 165741919
Sodium 2-(2-chloro-1,3-thiazol-4-yl)-2,2-difluoroacetate
CID 172229711
2-[4-(Trifluoromethyl)-1,3-thiazol-2-yl]ethyl formate
CID 174546263
2-[4-(Trifluoromethyl)-1,3-thiazol-2-yl]acetaldehyde
CID 176371161

Frequently Asked Questions

What is the IUPAC name of sodium 2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetate?
The IUPAC name of sodium 2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetate (CID 50987248) is sodium 2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetate.
What is the SMILES notation for sodium 2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetate?
The canonical SMILES for sodium 2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetate is O=C([O-])Cc1nc(C(F)(F)F)cs1.[Na+].
What is the InChIKey of sodium 2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetate?
The InChIKey is UCKNFYUUHVFZAI-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H4F3NO2S.Na/c7-6(8,9)3-2-13-4(10-3)1-5(11)12;/h2H,1H2,(H,11,12);/q;+1/p-1.
What are the key properties of sodium 2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetate?
sodium 2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetate has a molecular weight of 233.15 g/mol, XLogP of -2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetate is sourced from PubChem (CID 50987248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).