4-(methoxymethyl)-2-(2,4,6-trifluorophenyl)-1,3-thiazole-5-carboxylic acid

C12H8F3NO3S — CID 107920327

IUPAC4-(methoxymethyl)-2-(2,4,6-trifluorophenyl)-1,3-thiazole-5-carboxylic acid
SMILESCOCc1nc(-c2c(F)cc(F)cc2F)sc1C(=O)O
InChIInChI=1S/C12H8F3NO3S/c1-19-4-8-10(12(17)18)20-11(16-8)9-6(14)2-5(13)3-7(9)15/h2-3H,4H2,1H3,(H,17,18)
InChIKeyOBOPNKWMIXAUPS-UHFFFAOYSA-N
MW303.26 g/mol
LogP3.07
Rot. Bonds4

About 4-(methoxymethyl)-2-(2,4,6-trifluorophenyl)-1,3-thiazole-5-carboxylic acid

4-(methoxymethyl)-2-(2,4,6-trifluorophenyl)-1,3-thiazole-5-carboxylic acid (PubChem CID 107920327) has the molecular formula C12H8F3NO3S and a molecular weight of 303.26 g/mol. Its IUPAC name is 4-(methoxymethyl)-2-(2,4,6-trifluorophenyl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-(methoxymethyl)-2-(2,4,6-trifluorophenyl)-1,3-thiazole-5-carboxylic acid
PubChem CID107920327
Molecular FormulaC12H8F3NO3S
Molecular Weight303.26 g/mol
Exact Mass303.02
IUPAC Name4-(methoxymethyl)-2-(2,4,6-trifluorophenyl)-1,3-thiazole-5-carboxylic acid
SMILESCOCc1nc(-c2c(F)cc(F)cc2F)sc1C(=O)O
InChIInChI=1S/C12H8F3NO3S/c1-19-4-8-10(12(17)18)20-11(16-8)9-6(14)2-5(13)3-7(9)15/h2-3H,4H2,1H3,(H,17,18)
InChIKeyOBOPNKWMIXAUPS-UHFFFAOYSA-N
XLogP3.07
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.26
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-2-(2,4,6-trifluorophenyl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-(methoxymethyl)-2-(2,4,6-trifluorophenyl)-1,3-thiazole-5-carboxylic acid (CID 107920327) is 4-(methoxymethyl)-2-(2,4,6-trifluorophenyl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-(methoxymethyl)-2-(2,4,6-trifluorophenyl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-(methoxymethyl)-2-(2,4,6-trifluorophenyl)-1,3-thiazole-5-carboxylic acid is COCc1nc(-c2c(F)cc(F)cc2F)sc1C(=O)O.
What is the InChIKey of 4-(methoxymethyl)-2-(2,4,6-trifluorophenyl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is OBOPNKWMIXAUPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3NO3S/c1-19-4-8-10(12(17)18)20-11(16-8)9-6(14)2-5(13)3-7(9)15/h2-3H,4H2,1H3,(H,17,18).
What are the key properties of 4-(methoxymethyl)-2-(2,4,6-trifluorophenyl)-1,3-thiazole-5-carboxylic acid?
4-(methoxymethyl)-2-(2,4,6-trifluorophenyl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 303.26 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-2-(2,4,6-trifluorophenyl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 107920327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).