[2-[3-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-7-yl]methyl acetate

C16H11F3N2O2S — CID 67217755

IUPAC[2-[3-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-7-yl]methyl acetate
SMILESCC(=O)OCc1ccnc2sc(-c3cccc(C(F)(F)F)c3)nc12
InChIInChI=1S/C16H11F3N2O2S/c1-9(22)23-8-11-5-6-20-15-13(11)21-14(24-15)10-3-2-4-12(7-10)16(17,18)19/h2-7H,8H2,1H3
InChIKeyMPNPCONHGKEVCZ-UHFFFAOYSA-N
MW352.34 g/mol
LogP4.44
Rot. Bonds3

About [2-[3-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-7-yl]methyl acetate

[2-[3-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-7-yl]methyl acetate (PubChem CID 67217755) has the molecular formula C16H11F3N2O2S and a molecular weight of 352.34 g/mol. Its IUPAC name is [2-[3-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-7-yl]methyl acetate.

Molecular Properties

Compound Name[2-[3-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-7-yl]methyl acetate
PubChem CID67217755
Molecular FormulaC16H11F3N2O2S
Molecular Weight352.34 g/mol
Exact Mass352.05
IUPAC Name[2-[3-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-7-yl]methyl acetate
SMILESCC(=O)OCc1ccnc2sc(-c3cccc(C(F)(F)F)c3)nc12
InChIInChI=1S/C16H11F3N2O2S/c1-9(22)23-8-11-5-6-20-15-13(11)21-14(24-15)10-3-2-4-12(7-10)16(17,18)19/h2-7H,8H2,1H3
InChIKeyMPNPCONHGKEVCZ-UHFFFAOYSA-N
XLogP4.44
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.34
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[3-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-7-yl]methyl acetate?
The IUPAC name of [2-[3-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-7-yl]methyl acetate (CID 67217755) is [2-[3-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-7-yl]methyl acetate.
What is the SMILES notation for [2-[3-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-7-yl]methyl acetate?
The canonical SMILES for [2-[3-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-7-yl]methyl acetate is CC(=O)OCc1ccnc2sc(-c3cccc(C(F)(F)F)c3)nc12.
What is the InChIKey of [2-[3-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-7-yl]methyl acetate?
The InChIKey is MPNPCONHGKEVCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2O2S/c1-9(22)23-8-11-5-6-20-15-13(11)21-14(24-15)10-3-2-4-12(7-10)16(17,18)19/h2-7H,8H2,1H3.
What are the key properties of [2-[3-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-7-yl]methyl acetate?
[2-[3-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-7-yl]methyl acetate has a molecular weight of 352.34 g/mol, XLogP of 4.44, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-7-yl]methyl acetate is sourced from PubChem (CID 67217755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).