potassium 2-fluoro-2-(4-methyl-1,3-thiazol-2-yl)acetate

C6H5FKNO2S — CID 75480791

IUPACpotassium 2-fluoro-2-(4-methyl-1,3-thiazol-2-yl)acetate
SMILESCc1csc(C(F)C(=O)[O-])n1.[K+]
InChIInChI=1S/C6H6FNO2S.K/c1-3-2-11-5(8-3)4(7)6(9)10;/h2,4H,1H3,(H,9,10);/q;+1/p-1
InChIKeyKGKIBQUVJLFKQE-UHFFFAOYSA-M
MW213.27 g/mol
LogP-2.78
Rot. Bonds2

About potassium 2-fluoro-2-(4-methyl-1,3-thiazol-2-yl)acetate

potassium 2-fluoro-2-(4-methyl-1,3-thiazol-2-yl)acetate (PubChem CID 75480791) has the molecular formula C6H5FKNO2S and a molecular weight of 213.27 g/mol. Its IUPAC name is potassium 2-fluoro-2-(4-methyl-1,3-thiazol-2-yl)acetate.

Molecular Properties

Compound Namepotassium 2-fluoro-2-(4-methyl-1,3-thiazol-2-yl)acetate
PubChem CID75480791
Molecular FormulaC6H5FKNO2S
Molecular Weight213.27 g/mol
Exact Mass212.97
IUPAC Namepotassium 2-fluoro-2-(4-methyl-1,3-thiazol-2-yl)acetate
SMILESCc1csc(C(F)C(=O)[O-])n1.[K+]
InChIInChI=1S/C6H6FNO2S.K/c1-3-2-11-5(8-3)4(7)6(9)10;/h2,4H,1H3,(H,9,10);/q;+1/p-1
InChIKeyKGKIBQUVJLFKQE-UHFFFAOYSA-M
XLogP-2.78
TPSA53.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.27
LogP ≤ 5-2.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 2-(4-methyl-1,3-thiazol-2-yl)acetate
CID 574575
Methyl 2-(4-methyl-1,3-thiazol-2-yl)acetate
CID 7130900
{[(2-Methyl-1,3-thiazol-4-yl)methyl]thio}acetic acid
CID 7131480
1-(4-Methyl-1,3-thiazol-2-yl)propan-2-one
CID 17930988
Ethyl 2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetate
CID 43535917
Tert-butyl 2-(4-methyl-1,3-thiazol-2-yl)acetate
CID 45792271
Sodium 2-(4-methyl-1,3-thiazol-2-yl)propanoate
CID 119031038
2-(4-Methylthiazol-2-yl)acetic acid
CID 4011301
3-(((2-Methyl-1,3-thiazol-4-yl)methyl)sulfanyl)propanoic acid
CID 13052088
Sodium 2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetate
CID 50987248
Ethyl 2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanoate
CID 66751810
Ethyl 2-[4-(fluoromethyl)-1,3-thiazol-2-yl]acetate
CID 67486404

Frequently Asked Questions

What is the IUPAC name of potassium 2-fluoro-2-(4-methyl-1,3-thiazol-2-yl)acetate?
The IUPAC name of potassium 2-fluoro-2-(4-methyl-1,3-thiazol-2-yl)acetate (CID 75480791) is potassium 2-fluoro-2-(4-methyl-1,3-thiazol-2-yl)acetate.
What is the SMILES notation for potassium 2-fluoro-2-(4-methyl-1,3-thiazol-2-yl)acetate?
The canonical SMILES for potassium 2-fluoro-2-(4-methyl-1,3-thiazol-2-yl)acetate is Cc1csc(C(F)C(=O)[O-])n1.[K+].
What is the InChIKey of potassium 2-fluoro-2-(4-methyl-1,3-thiazol-2-yl)acetate?
The InChIKey is KGKIBQUVJLFKQE-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H6FNO2S.K/c1-3-2-11-5(8-3)4(7)6(9)10;/h2,4H,1H3,(H,9,10);/q;+1/p-1.
What are the key properties of potassium 2-fluoro-2-(4-methyl-1,3-thiazol-2-yl)acetate?
potassium 2-fluoro-2-(4-methyl-1,3-thiazol-2-yl)acetate has a molecular weight of 213.27 g/mol, XLogP of -2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-fluoro-2-(4-methyl-1,3-thiazol-2-yl)acetate is sourced from PubChem (CID 75480791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).