methyl 7-hydroxy-5-oxo-4-[3-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridine-6-carboxylate

C15H9F3N2O4S — CID 54711794

IUPACmethyl 7-hydroxy-5-oxo-4-[3-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridine-6-carboxylate
SMILESCOC(=O)c1c(O)c2ncsc2n(-c2cccc(C(F)(F)F)c2)c1=O
InChIInChI=1S/C15H9F3N2O4S/c1-24-14(23)9-11(21)10-13(25-6-19-10)20(12(9)22)8-4-2-3-7(5-8)15(16,17)18/h2-6,21H,1H3
InChIKeyPVGYNKMYZCVNHS-UHFFFAOYSA-N
MW370.31 g/mol
LogP2.96
Rot. Bonds2

About methyl 7-hydroxy-5-oxo-4-[3-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridine-6-carboxylate

methyl 7-hydroxy-5-oxo-4-[3-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridine-6-carboxylate (PubChem CID 54711794) has the molecular formula C15H9F3N2O4S and a molecular weight of 370.31 g/mol. Its IUPAC name is methyl 7-hydroxy-5-oxo-4-[3-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 7-hydroxy-5-oxo-4-[3-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridine-6-carboxylate
PubChem CID54711794
Molecular FormulaC15H9F3N2O4S
Molecular Weight370.31 g/mol
Exact Mass370.02
IUPAC Namemethyl 7-hydroxy-5-oxo-4-[3-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridine-6-carboxylate
SMILESCOC(=O)c1c(O)c2ncsc2n(-c2cccc(C(F)(F)F)c2)c1=O
InChIInChI=1S/C15H9F3N2O4S/c1-24-14(23)9-11(21)10-13(25-6-19-10)20(12(9)22)8-4-2-3-7(5-8)15(16,17)18/h2-6,21H,1H3
InChIKeyPVGYNKMYZCVNHS-UHFFFAOYSA-N
XLogP2.96
TPSA81.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.31
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 2,3,5,6-tetrafluoro-4-[3-(trifluoromethyl)phenyl]benzoate
CID 118820898
methyl 5-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-3H-pyrrole-4-carboxylate
CID 745103
8-chloro-3-[(1S)-1-([1,3]thiazolo[5,4-d]pyrimidin-7-ylamino)ethyl]-2-[3-(trifluoromethyl)phenyl]isoquinolin-1-one
CID 71235926
methyl 5-(4-bromophenyl)-2-methyl-1-[3-(trifluoromethyl)phenyl]pyrrole-3-carboxylate
CID 4715432
N-propan-2-yl-1-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide
CID 100816389
5-hydroxy-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
CID 70267707
methyl 2-hydroxy-3-[[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbonyl]amino]benzoate
CID 56543548
methyl 2-[2-[[3-hydroxy-1-oxo-2-[3-(trifluoromethyl)phenyl]isoquinolin-4-yl]methylideneamino]-1,3-thiazol-4-yl]acetate
CID 4832269
methyl 4-[[[5-(dimethylcarbamoyl)-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carbonyl]amino]methyl]benzoate
CID 68881412
methyl 4-amino-1-(4-hydroxyphenyl)-2-oxo-7-(trifluoromethyl)quinoline-3-carboxylate
CID 169207314
8-(iodomethyl)-3-[(1S)-1-([1,3]thiazolo[5,4-d]pyrimidin-7-ylamino)ethyl]-2-[3-(trifluoromethyl)phenyl]isoquinolin-1-one
CID 89395504
methyl 4-amino-1-(1-benzothiophen-5-yl)-2-oxo-7-(trifluoromethyl)quinoline-3-carboxylate
CID 169207148

Frequently Asked Questions

What is the IUPAC name of methyl 7-hydroxy-5-oxo-4-[3-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridine-6-carboxylate?
The IUPAC name of methyl 7-hydroxy-5-oxo-4-[3-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridine-6-carboxylate (CID 54711794) is methyl 7-hydroxy-5-oxo-4-[3-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridine-6-carboxylate.
What is the SMILES notation for methyl 7-hydroxy-5-oxo-4-[3-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridine-6-carboxylate?
The canonical SMILES for methyl 7-hydroxy-5-oxo-4-[3-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridine-6-carboxylate is COC(=O)c1c(O)c2ncsc2n(-c2cccc(C(F)(F)F)c2)c1=O.
What is the InChIKey of methyl 7-hydroxy-5-oxo-4-[3-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridine-6-carboxylate?
The InChIKey is PVGYNKMYZCVNHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F3N2O4S/c1-24-14(23)9-11(21)10-13(25-6-19-10)20(12(9)22)8-4-2-3-7(5-8)15(16,17)18/h2-6,21H,1H3.
What are the key properties of methyl 7-hydroxy-5-oxo-4-[3-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridine-6-carboxylate?
methyl 7-hydroxy-5-oxo-4-[3-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridine-6-carboxylate has a molecular weight of 370.31 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-hydroxy-5-oxo-4-[3-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridine-6-carboxylate is sourced from PubChem (CID 54711794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).