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

C6H4F3NO3S — CID 19885542

IUPAC2-methoxy-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
SMILESCOc1nc(C(F)(F)F)c(C(=O)O)s1
InChIInChI=1S/C6H4F3NO3S/c1-13-5-10-3(6(7,8)9)2(14-5)4(11)12/h1H3,(H,11,12)
InChIKeyDAGFIURSOZGKLT-UHFFFAOYSA-N
MW227.16 g/mol
LogP1.87
Rot. Bonds2

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

2-methoxy-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid (PubChem CID 19885542) has the molecular formula C6H4F3NO3S and a molecular weight of 227.16 g/mol. Its IUPAC name is 2-methoxy-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-methoxy-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
PubChem CID19885542
Molecular FormulaC6H4F3NO3S
Molecular Weight227.16 g/mol
Exact Mass226.99
IUPAC Name2-methoxy-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
SMILESCOc1nc(C(F)(F)F)c(C(=O)O)s1
InChIInChI=1S/C6H4F3NO3S/c1-13-5-10-3(6(7,8)9)2(14-5)4(11)12/h1H3,(H,11,12)
InChIKeyDAGFIURSOZGKLT-UHFFFAOYSA-N
XLogP1.87
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.16
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-methoxy-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid (CID 19885542) is 2-methoxy-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-methoxy-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-methoxy-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid is COc1nc(C(F)(F)F)c(C(=O)O)s1.
What is the InChIKey of 2-methoxy-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is DAGFIURSOZGKLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F3NO3S/c1-13-5-10-3(6(7,8)9)2(14-5)4(11)12/h1H3,(H,11,12).
What are the key properties of 2-methoxy-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid?
2-methoxy-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 227.16 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 19885542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).