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

C15H11F3N2S — CID 69087312

IUPAC7-ethyl-2-[3-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridine
SMILESCCc1ccnc2sc(-c3cccc(C(F)(F)F)c3)nc12
InChIInChI=1S/C15H11F3N2S/c1-2-9-6-7-19-14-12(9)20-13(21-14)10-4-3-5-11(8-10)15(16,17)18/h3-8H,2H2,1H3
InChIKeyLJMOECNBKYKHDW-UHFFFAOYSA-N
MW308.33 g/mol
LogP4.94
Rot. Bonds2

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

7-ethyl-2-[3-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridine (PubChem CID 69087312) has the molecular formula C15H11F3N2S and a molecular weight of 308.33 g/mol. Its IUPAC name is 7-ethyl-2-[3-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridine.

Molecular Properties

Compound Name7-ethyl-2-[3-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridine
PubChem CID69087312
Molecular FormulaC15H11F3N2S
Molecular Weight308.33 g/mol
Exact Mass308.06
IUPAC Name7-ethyl-2-[3-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridine
SMILESCCc1ccnc2sc(-c3cccc(C(F)(F)F)c3)nc12
InChIInChI=1S/C15H11F3N2S/c1-2-9-6-7-19-14-12(9)20-13(21-14)10-4-3-5-11(8-10)15(16,17)18/h3-8H,2H2,1H3
InChIKeyLJMOECNBKYKHDW-UHFFFAOYSA-N
XLogP4.94
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-Pyridinyl)benzothiazole
CID 12856
4-[2-Ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]pyridine
CID 11277481
4-(3,4-Difluorophenyl)-2-pyridin-3-yl-1,3-thiazole
CID 2800024
4-(Benzo[d]thiazol-2-yl)-1-benzylpyridin-1-ium bromide
CID 44660009
2-(3-Pyridyl)benzothiazole
CID 235922
4-(2-Fluorophenyl)-2-pyridin-3-yl-1,3-thiazole
CID 2347880
4-(3,4-Difluorophenyl)-2-pyridin-2-yl-1,3-thiazole
CID 2446134
4-(4-Methylphenyl)-2-pyridin-4-yl-1,3-thiazole
CID 715106
4-[4-(4-Fluorophenyl)-1,3-thiazol-2-yl]-2-propylpyridine
CID 5306660
2-Ethyl-5-(2-fluoro-4-pyridyl)-4-(3-methylphenyl)-1,3-thiazole
CID 9900885
4-(2-Ethyl-4-m-tolyl-thiazol-5-yl)-2-methyl-pyridine
CID 11551077
4-(4-Fluorophenyl)-2-pyridin-4-yl-1,3-thiazole
CID 738487

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-2-[3-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridine?
The IUPAC name of 7-ethyl-2-[3-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridine (CID 69087312) is 7-ethyl-2-[3-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridine.
What is the SMILES notation for 7-ethyl-2-[3-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridine?
The canonical SMILES for 7-ethyl-2-[3-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridine is CCc1ccnc2sc(-c3cccc(C(F)(F)F)c3)nc12.
What is the InChIKey of 7-ethyl-2-[3-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridine?
The InChIKey is LJMOECNBKYKHDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N2S/c1-2-9-6-7-19-14-12(9)20-13(21-14)10-4-3-5-11(8-10)15(16,17)18/h3-8H,2H2,1H3.
What are the key properties of 7-ethyl-2-[3-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridine?
7-ethyl-2-[3-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridine has a molecular weight of 308.33 g/mol, XLogP of 4.94, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-2-[3-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridine is sourced from PubChem (CID 69087312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).