2-(phenylmethoxymethyl)-6-(3,3,3-trifluoroprop-1-en-2-yl)-[1,3]thiazolo[5,4-b]pyridine

C17H13F3N2OS — CID 118069618

IUPAC2-(phenylmethoxymethyl)-6-(3,3,3-trifluoroprop-1-en-2-yl)-[1,3]thiazolo[5,4-b]pyridine
SMILESC=C(c1cnc2sc(COCc3ccccc3)nc2c1)C(F)(F)F
InChIInChI=1S/C17H13F3N2OS/c1-11(17(18,19)20)13-7-14-16(21-8-13)24-15(22-14)10-23-9-12-5-3-2-4-6-12/h2-8H,1,9-10H2
InChIKeyBUJVGQOKFUXBJO-UHFFFAOYSA-N
MW350.37 g/mol
LogP4.98
Rot. Bonds5

About 2-(phenylmethoxymethyl)-6-(3,3,3-trifluoroprop-1-en-2-yl)-[1,3]thiazolo[5,4-b]pyridine

2-(phenylmethoxymethyl)-6-(3,3,3-trifluoroprop-1-en-2-yl)-[1,3]thiazolo[5,4-b]pyridine (PubChem CID 118069618) has the molecular formula C17H13F3N2OS and a molecular weight of 350.37 g/mol. Its IUPAC name is 2-(phenylmethoxymethyl)-6-(3,3,3-trifluoroprop-1-en-2-yl)-[1,3]thiazolo[5,4-b]pyridine.

Molecular Properties

Compound Name2-(phenylmethoxymethyl)-6-(3,3,3-trifluoroprop-1-en-2-yl)-[1,3]thiazolo[5,4-b]pyridine
PubChem CID118069618
Molecular FormulaC17H13F3N2OS
Molecular Weight350.37 g/mol
Exact Mass350.07
IUPAC Name2-(phenylmethoxymethyl)-6-(3,3,3-trifluoroprop-1-en-2-yl)-[1,3]thiazolo[5,4-b]pyridine
SMILESC=C(c1cnc2sc(COCc3ccccc3)nc2c1)C(F)(F)F
InChIInChI=1S/C17H13F3N2OS/c1-11(17(18,19)20)13-7-14-16(21-8-13)24-15(22-14)10-23-9-12-5-3-2-4-6-12/h2-8H,1,9-10H2
InChIKeyBUJVGQOKFUXBJO-UHFFFAOYSA-N
XLogP4.98
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(phenylmethoxymethyl)-6-(3,3,3-trifluoroprop-1-en-2-yl)-[1,3]thiazolo[5,4-b]pyridine with MolForge

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Related Compounds

[2-[4-(Trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-7-yl]methanol
CID 57432059
2-[[4-(Trifluoromethoxy)phenyl]methyltrisulfanyl]-[1,3]thiazolo[5,4-b]pyridine
CID 57941669
[4-(3-Benzyloxy-propyl)-2-(6-trifluoromethyl-pyridin-3-yl)-thiazol-5-yl]-methanol
CID 59295434
2-(4-(1,3-Dioxan-2-yl)-2-fluorophenyl)-6-(1-phenylvinyl)thiazolo[4,5-c]pyridine
CID 67112776
2-(3-Methoxypyridin-4-yl)-6-(trifluoromethyl)-[1,3]thiazolo[5,4-b]pyridine
CID 67113763
(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
7-Methoxy-2-[3-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridine
CID 67217902
2-(3-Ethoxypyridin-4-yl)-6-(trifluoromethyl)thiazolo[5,4-b]pyridine
CID 68153967
2-(2-Ethyl-4-pyridinyl)-5-[3-[(4-fluorophenyl)methoxy]propyl]-4-methyl-1,3-thiazole
CID 86300150
2-(2-Ethyl-4-pyridinyl)-5-[(4-fluorophenyl)methoxymethyl]-4-methyl-1,3-thiazole
CID 86301813
2-[3-(2,2-Difluoroethoxy)pyridin-4-yl]-6-(trifluoromethyl)thiazolo[5,4-b]pyridine
CID 86668533

Frequently Asked Questions

What is the IUPAC name of 2-(phenylmethoxymethyl)-6-(3,3,3-trifluoroprop-1-en-2-yl)-[1,3]thiazolo[5,4-b]pyridine?
The IUPAC name of 2-(phenylmethoxymethyl)-6-(3,3,3-trifluoroprop-1-en-2-yl)-[1,3]thiazolo[5,4-b]pyridine (CID 118069618) is 2-(phenylmethoxymethyl)-6-(3,3,3-trifluoroprop-1-en-2-yl)-[1,3]thiazolo[5,4-b]pyridine.
What is the SMILES notation for 2-(phenylmethoxymethyl)-6-(3,3,3-trifluoroprop-1-en-2-yl)-[1,3]thiazolo[5,4-b]pyridine?
The canonical SMILES for 2-(phenylmethoxymethyl)-6-(3,3,3-trifluoroprop-1-en-2-yl)-[1,3]thiazolo[5,4-b]pyridine is C=C(c1cnc2sc(COCc3ccccc3)nc2c1)C(F)(F)F.
What is the InChIKey of 2-(phenylmethoxymethyl)-6-(3,3,3-trifluoroprop-1-en-2-yl)-[1,3]thiazolo[5,4-b]pyridine?
The InChIKey is BUJVGQOKFUXBJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2OS/c1-11(17(18,19)20)13-7-14-16(21-8-13)24-15(22-14)10-23-9-12-5-3-2-4-6-12/h2-8H,1,9-10H2.
What are the key properties of 2-(phenylmethoxymethyl)-6-(3,3,3-trifluoroprop-1-en-2-yl)-[1,3]thiazolo[5,4-b]pyridine?
2-(phenylmethoxymethyl)-6-(3,3,3-trifluoroprop-1-en-2-yl)-[1,3]thiazolo[5,4-b]pyridine has a molecular weight of 350.37 g/mol, XLogP of 4.98, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(phenylmethoxymethyl)-6-(3,3,3-trifluoroprop-1-en-2-yl)-[1,3]thiazolo[5,4-b]pyridine is sourced from PubChem (CID 118069618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).