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

C16H13F3N2O2S — CID 138725887

IUPAC2,2,2-trifluoro-1-[2-(phenylmethoxymethyl)-[1,3]thiazolo[5,4-b]pyridin-6-yl]ethanol
SMILESOC(c1cnc2sc(COCc3ccccc3)nc2c1)C(F)(F)F
InChIInChI=1S/C16H13F3N2O2S/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/h1-7,14,22H,8-9H2
InChIKeyDULNRNVUBVSQKB-UHFFFAOYSA-N
MW354.35 g/mol
LogP4.00
Rot. Bonds5

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

2,2,2-trifluoro-1-[2-(phenylmethoxymethyl)-[1,3]thiazolo[5,4-b]pyridin-6-yl]ethanol (PubChem CID 138725887) has the molecular formula C16H13F3N2O2S and a molecular weight of 354.35 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[2-(phenylmethoxymethyl)-[1,3]thiazolo[5,4-b]pyridin-6-yl]ethanol.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[2-(phenylmethoxymethyl)-[1,3]thiazolo[5,4-b]pyridin-6-yl]ethanol
PubChem CID138725887
Molecular FormulaC16H13F3N2O2S
Molecular Weight354.35 g/mol
Exact Mass354.06
IUPAC Name2,2,2-trifluoro-1-[2-(phenylmethoxymethyl)-[1,3]thiazolo[5,4-b]pyridin-6-yl]ethanol
SMILESOC(c1cnc2sc(COCc3ccccc3)nc2c1)C(F)(F)F
InChIInChI=1S/C16H13F3N2O2S/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/h1-7,14,22H,8-9H2
InChIKeyDULNRNVUBVSQKB-UHFFFAOYSA-N
XLogP4.00
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.35
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2,2,2-trifluoro-1-[2-(phenylmethoxymethyl)-[1,3]thiazolo[5,4-b]pyridin-6-yl]ethanol with MolForge

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Related Compounds

pyridin-3-yl-[4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-thiazol-2-yl]methanol
CID 49790109
[2-(1,3-Benzothiazol-2-yl)pyridin-3-yl]methanol
CID 1534826
[2-[4-(Trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-7-yl]methanol
CID 57432059
[4-(4-Fluorophenyl)-5-(2-fluoropyridin-4-yl)-1,3-thiazol-2-yl](pyridin-3-yl)methanol
CID 57830082
[4-(3-Benzyloxy-propyl)-2-(6-trifluoromethyl-pyridin-3-yl)-thiazol-5-yl]-methanol
CID 59295434
(2-(3-(Trifluoromethyl)phenyl)thiazolo[5,4-b]pyridin-7-yl)methyl acetate
CID 67217755
(2-(3-(Trifluoromethyl)phenyl)thiazolo[5,4-b]pyridin-7-yl)methanol
CID 67217876
[3-(6-Fluoro-1,3-benzothiazol-2-yl)cyclobutyl]-pyridin-2-ylmethanol
CID 89524680
4-[5-[2-(3-fluoro-3-methylbutoxy)propan-2-yl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]-N,N-dimethylaniline
CID 90729299
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
2,2,2-Trifluoro-1-[2-(phenylmethoxymethyl)-[1,3]thiazolo[5,4-b]pyridin-6-yl]ethanone
CID 118069613

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]ethanol?
The IUPAC name of 2,2,2-trifluoro-1-[2-(phenylmethoxymethyl)-[1,3]thiazolo[5,4-b]pyridin-6-yl]ethanol (CID 138725887) is 2,2,2-trifluoro-1-[2-(phenylmethoxymethyl)-[1,3]thiazolo[5,4-b]pyridin-6-yl]ethanol.
What is the SMILES notation for 2,2,2-trifluoro-1-[2-(phenylmethoxymethyl)-[1,3]thiazolo[5,4-b]pyridin-6-yl]ethanol?
The canonical SMILES for 2,2,2-trifluoro-1-[2-(phenylmethoxymethyl)-[1,3]thiazolo[5,4-b]pyridin-6-yl]ethanol is OC(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]ethanol?
The InChIKey is DULNRNVUBVSQKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N2O2S/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/h1-7,14,22H,8-9H2.
What are the key properties of 2,2,2-trifluoro-1-[2-(phenylmethoxymethyl)-[1,3]thiazolo[5,4-b]pyridin-6-yl]ethanol?
2,2,2-trifluoro-1-[2-(phenylmethoxymethyl)-[1,3]thiazolo[5,4-b]pyridin-6-yl]ethanol has a molecular weight of 354.35 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 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]ethanol is sourced from PubChem (CID 138725887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).