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

C7H6F3NO3S — CID 19885514

IUPAC2-(methoxymethyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
SMILESCOCc1nc(C(F)(F)F)c(C(=O)O)s1
InChIInChI=1S/C7H6F3NO3S/c1-14-2-3-11-5(7(8,9)10)4(15-3)6(12)13/h2H2,1H3,(H,12,13)
InChIKeyZFUFLBQTFFBVDP-UHFFFAOYSA-N
MW241.19 g/mol
LogP2.01
Rot. Bonds3

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

2-(methoxymethyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid (PubChem CID 19885514) has the molecular formula C7H6F3NO3S and a molecular weight of 241.19 g/mol. Its IUPAC name is 2-(methoxymethyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(methoxymethyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
PubChem CID19885514
Molecular FormulaC7H6F3NO3S
Molecular Weight241.19 g/mol
Exact Mass241.00
IUPAC Name2-(methoxymethyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
SMILESCOCc1nc(C(F)(F)F)c(C(=O)O)s1
InChIInChI=1S/C7H6F3NO3S/c1-14-2-3-11-5(7(8,9)10)4(15-3)6(12)13/h2H2,1H3,(H,12,13)
InChIKeyZFUFLBQTFFBVDP-UHFFFAOYSA-N
XLogP2.01
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.19
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(methoxymethyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid (CID 19885514) is 2-(methoxymethyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(methoxymethyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(methoxymethyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid is COCc1nc(C(F)(F)F)c(C(=O)O)s1.
What is the InChIKey of 2-(methoxymethyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is ZFUFLBQTFFBVDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NO3S/c1-14-2-3-11-5(7(8,9)10)4(15-3)6(12)13/h2H2,1H3,(H,12,13).
What are the key properties of 2-(methoxymethyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid?
2-(methoxymethyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 241.19 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 19885514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).