2-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridine-7-carboxylic acid

C14H7F3N2O2S — CID 57432058

IUPAC2-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridine-7-carboxylic acid
SMILESO=C(O)c1ccnc2sc(-c3ccc(C(F)(F)F)cc3)nc12
InChIInChI=1S/C14H7F3N2O2S/c15-14(16,17)8-3-1-7(2-4-8)11-19-10-9(13(20)21)5-6-18-12(10)22-11/h1-6H,(H,20,21)
InChIKeyXMFJPTZSGZVXEE-UHFFFAOYSA-N
MW324.28 g/mol
LogP4.08
Rot. Bonds2

About 2-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridine-7-carboxylic acid

2-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridine-7-carboxylic acid (PubChem CID 57432058) has the molecular formula C14H7F3N2O2S and a molecular weight of 324.28 g/mol. Its IUPAC name is 2-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name2-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridine-7-carboxylic acid
PubChem CID57432058
Molecular FormulaC14H7F3N2O2S
Molecular Weight324.28 g/mol
Exact Mass324.02
IUPAC Name2-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridine-7-carboxylic acid
SMILESO=C(O)c1ccnc2sc(-c3ccc(C(F)(F)F)cc3)nc12
InChIInChI=1S/C14H7F3N2O2S/c15-14(16,17)8-3-1-7(2-4-8)11-19-10-9(13(20)21)5-6-18-12(10)22-11/h1-6H,(H,20,21)
InChIKeyXMFJPTZSGZVXEE-UHFFFAOYSA-N
XLogP4.08
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.28
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridine-7-carboxylic acid?
The IUPAC name of 2-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridine-7-carboxylic acid (CID 57432058) is 2-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridine-7-carboxylic acid.
What is the SMILES notation for 2-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridine-7-carboxylic acid?
The canonical SMILES for 2-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridine-7-carboxylic acid is O=C(O)c1ccnc2sc(-c3ccc(C(F)(F)F)cc3)nc12.
What is the InChIKey of 2-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridine-7-carboxylic acid?
The InChIKey is XMFJPTZSGZVXEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7F3N2O2S/c15-14(16,17)8-3-1-7(2-4-8)11-19-10-9(13(20)21)5-6-18-12(10)22-11/h1-6H,(H,20,21).
What are the key properties of 2-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridine-7-carboxylic acid?
2-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridine-7-carboxylic acid has a molecular weight of 324.28 g/mol, XLogP of 4.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridine-7-carboxylic acid is sourced from PubChem (CID 57432058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).