2,2,2-trifluoro-1-[2-(phenylmethoxymethyl)-[1,3]thiazolo[5,4-b]pyridin-6-yl]ethanone

C16H11F3N2O2S — CID 118069613

IUPAC2,2,2-trifluoro-1-[2-(phenylmethoxymethyl)-[1,3]thiazolo[5,4-b]pyridin-6-yl]ethanone
SMILESO=C(c1cnc2sc(COCc3ccccc3)nc2c1)C(F)(F)F
InChIInChI=1S/C16H11F3N2O2S/c17-16(18,19)14(22)11-6-12-15(20-7-11)24-13(21-12)9-23-8-10-4-2-1-3-5-10/h1-7H,8-9H2
InChIKeyHBNLNEDWKZRQID-UHFFFAOYSA-N
MW352.34 g/mol
LogP4.15
Rot. Bonds5

About 2,2,2-trifluoro-1-[2-(phenylmethoxymethyl)-[1,3]thiazolo[5,4-b]pyridin-6-yl]ethanone

2,2,2-trifluoro-1-[2-(phenylmethoxymethyl)-[1,3]thiazolo[5,4-b]pyridin-6-yl]ethanone (PubChem CID 118069613) has the molecular formula C16H11F3N2O2S and a molecular weight of 352.34 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[2-(phenylmethoxymethyl)-[1,3]thiazolo[5,4-b]pyridin-6-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[2-(phenylmethoxymethyl)-[1,3]thiazolo[5,4-b]pyridin-6-yl]ethanone
PubChem CID118069613
Molecular FormulaC16H11F3N2O2S
Molecular Weight352.34 g/mol
Exact Mass352.05
IUPAC Name2,2,2-trifluoro-1-[2-(phenylmethoxymethyl)-[1,3]thiazolo[5,4-b]pyridin-6-yl]ethanone
SMILESO=C(c1cnc2sc(COCc3ccccc3)nc2c1)C(F)(F)F
InChIInChI=1S/C16H11F3N2O2S/c17-16(18,19)14(22)11-6-12-15(20-7-11)24-13(21-12)9-23-8-10-4-2-1-3-5-10/h1-7H,8-9H2
InChIKeyHBNLNEDWKZRQID-UHFFFAOYSA-N
XLogP4.15
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.34
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Methyl 3-([1,3]thiazolo[5,4-b]pyridin-2-ylmethylamino)benzoate
CID 75485019
2-[4-(Trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridine-7-carboxylic acid
CID 57432058
1-[2-(Butoxymethyl)-[1,3]thiazolo[5,4-b]pyridin-6-yl]-2,2,2-trifluoroethanone
CID 90154000
2-(Phenylmethoxymethyl)-6-[1-(trifluoromethyl)cyclopropyl]-[1,3]thiazolo[5,4-b]pyridine
CID 118069602
2-(Phenylmethoxymethyl)-6-[5-(trifluoromethyl)-3,4-dihydropyrazol-5-yl]-[1,3]thiazolo[5,4-b]pyridine
CID 118069605
6-(1,1,2,2,2-Pentafluoroethyl)-2-(phenylmethoxymethyl)-[1,3]thiazolo[5,4-b]pyridine
CID 118069615
2-(Phenylmethoxymethyl)-6-(3,3,3-trifluoroprop-1-en-2-yl)-[1,3]thiazolo[5,4-b]pyridine
CID 118069618
2,2,2-Trifluoro-1-[2-(phenylmethoxymethyl)-[1,3]thiazolo[5,4-b]pyridin-6-yl]ethanol
CID 138725887
1-[7-[(1S)-1-methoxyethyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]-3-[6-(methoxymethyl)-5-(trifluoromethyl)-3-pyridinyl]propan-2-one
CID 158789421
Methyl 3-morpholin-4-yl-7-(2,3,5-trifluorophenyl)thieno[3,2-b]pyridine-2-carboxylate
CID 163367117
Ethyl 2-phenyl-[1,3]thiazolo[4,5-c]pyridine-6-carboxylate
CID 21794213
1,3-Benzothiazol-2-ylmethyl 2-(difluoromethylsulfanyl)pyridine-3-carboxylate
CID 8381942

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[2-(phenylmethoxymethyl)-[1,3]thiazolo[5,4-b]pyridin-6-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[2-(phenylmethoxymethyl)-[1,3]thiazolo[5,4-b]pyridin-6-yl]ethanone (CID 118069613) is 2,2,2-trifluoro-1-[2-(phenylmethoxymethyl)-[1,3]thiazolo[5,4-b]pyridin-6-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[2-(phenylmethoxymethyl)-[1,3]thiazolo[5,4-b]pyridin-6-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[2-(phenylmethoxymethyl)-[1,3]thiazolo[5,4-b]pyridin-6-yl]ethanone is O=C(c1cnc2sc(COCc3ccccc3)nc2c1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-[2-(phenylmethoxymethyl)-[1,3]thiazolo[5,4-b]pyridin-6-yl]ethanone?
The InChIKey is HBNLNEDWKZRQID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2O2S/c17-16(18,19)14(22)11-6-12-15(20-7-11)24-13(21-12)9-23-8-10-4-2-1-3-5-10/h1-7H,8-9H2.
What are the key properties of 2,2,2-trifluoro-1-[2-(phenylmethoxymethyl)-[1,3]thiazolo[5,4-b]pyridin-6-yl]ethanone?
2,2,2-trifluoro-1-[2-(phenylmethoxymethyl)-[1,3]thiazolo[5,4-b]pyridin-6-yl]ethanone has a molecular weight of 352.34 g/mol, XLogP of 4.15, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[2-(phenylmethoxymethyl)-[1,3]thiazolo[5,4-b]pyridin-6-yl]ethanone is sourced from PubChem (CID 118069613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).