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

C14H9F3N2OS — CID 67217902

IUPAC7-methoxy-2-[3-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridine
SMILESCOc1ccnc2sc(-c3cccc(C(F)(F)F)c3)nc12
InChIInChI=1S/C14H9F3N2OS/c1-20-10-5-6-18-13-11(10)19-12(21-13)8-3-2-4-9(7-8)14(15,16)17/h2-7H,1H3
InChIKeyFBRKQLMGZGHXCO-UHFFFAOYSA-N
MW310.30 g/mol
LogP4.39
Rot. Bonds2

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

7-methoxy-2-[3-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridine (PubChem CID 67217902) has the molecular formula C14H9F3N2OS and a molecular weight of 310.30 g/mol. Its IUPAC name is 7-methoxy-2-[3-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridine.

Molecular Properties

Compound Name7-methoxy-2-[3-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridine
PubChem CID67217902
Molecular FormulaC14H9F3N2OS
Molecular Weight310.30 g/mol
Exact Mass310.04
IUPAC Name7-methoxy-2-[3-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridine
SMILESCOc1ccnc2sc(-c3cccc(C(F)(F)F)c3)nc12
InChIInChI=1S/C14H9F3N2OS/c1-20-10-5-6-18-13-11(10)19-12(21-13)8-3-2-4-9(7-8)14(15,16)17/h2-7H,1H3
InChIKeyFBRKQLMGZGHXCO-UHFFFAOYSA-N
XLogP4.39
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.30
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-[3-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridine?
The IUPAC name of 7-methoxy-2-[3-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridine (CID 67217902) is 7-methoxy-2-[3-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridine.
What is the SMILES notation for 7-methoxy-2-[3-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridine?
The canonical SMILES for 7-methoxy-2-[3-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridine is COc1ccnc2sc(-c3cccc(C(F)(F)F)c3)nc12.
What is the InChIKey of 7-methoxy-2-[3-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridine?
The InChIKey is FBRKQLMGZGHXCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N2OS/c1-20-10-5-6-18-13-11(10)19-12(21-13)8-3-2-4-9(7-8)14(15,16)17/h2-7H,1H3.
What are the key properties of 7-methoxy-2-[3-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridine?
7-methoxy-2-[3-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridine has a molecular weight of 310.30 g/mol, XLogP of 4.39, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-[3-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridine is sourced from PubChem (CID 67217902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).