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

C16H11F5N2OS — CID 118069615

IUPAC6-(1,1,2,2,2-pentafluoroethyl)-2-(phenylmethoxymethyl)-[1,3]thiazolo[5,4-b]pyridine
SMILESFC(F)(F)C(F)(F)c1cnc2sc(COCc3ccccc3)nc2c1
InChIInChI=1S/C16H11F5N2OS/c17-15(18,16(19,20)21)11-6-12-14(22-7-11)25-13(23-12)9-24-8-10-4-2-1-3-5-10/h1-7H,8-9H2
InChIKeyPFPJYOOBHXJTNW-UHFFFAOYSA-N
MW374.33 g/mol
LogP5.06
Rot. Bonds5

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

6-(1,1,2,2,2-pentafluoroethyl)-2-(phenylmethoxymethyl)-[1,3]thiazolo[5,4-b]pyridine (PubChem CID 118069615) has the molecular formula C16H11F5N2OS and a molecular weight of 374.33 g/mol. Its IUPAC name is 6-(1,1,2,2,2-pentafluoroethyl)-2-(phenylmethoxymethyl)-[1,3]thiazolo[5,4-b]pyridine.

Molecular Properties

Compound Name6-(1,1,2,2,2-pentafluoroethyl)-2-(phenylmethoxymethyl)-[1,3]thiazolo[5,4-b]pyridine
PubChem CID118069615
Molecular FormulaC16H11F5N2OS
Molecular Weight374.33 g/mol
Exact Mass374.05
IUPAC Name6-(1,1,2,2,2-pentafluoroethyl)-2-(phenylmethoxymethyl)-[1,3]thiazolo[5,4-b]pyridine
SMILESFC(F)(F)C(F)(F)c1cnc2sc(COCc3ccccc3)nc2c1
InChIInChI=1S/C16H11F5N2OS/c17-15(18,16(19,20)21)11-6-12-14(22-7-11)25-13(23-12)9-24-8-10-4-2-1-3-5-10/h1-7H,8-9H2
InChIKeyPFPJYOOBHXJTNW-UHFFFAOYSA-N
XLogP5.06
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.33
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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

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Related Compounds

1,1,1-trifluoro-N-[3-[2-[[2-[5-(trifluoromethyl)pyridin-2-yl]-1,3-thiazol-4-yl]methoxy]ethyl]phenyl]methanesulfonamide
CID 10481472
[2-[4-(Trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-7-yl]methanol
CID 57432059
[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-(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
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
2-[3-(2,2-Difluoroethoxy)-4-pyridinyl]-6-methyl-[1,3]thiazolo[5,4-b]pyridine
CID 88859392
2-(Butoxymethyl)-6-(3,3,3-trifluoroprop-1-en-2-yl)-[1,3]thiazolo[5,4-b]pyridine
CID 90153986

Frequently Asked Questions

What is the IUPAC name of 6-(1,1,2,2,2-pentafluoroethyl)-2-(phenylmethoxymethyl)-[1,3]thiazolo[5,4-b]pyridine?
The IUPAC name of 6-(1,1,2,2,2-pentafluoroethyl)-2-(phenylmethoxymethyl)-[1,3]thiazolo[5,4-b]pyridine (CID 118069615) is 6-(1,1,2,2,2-pentafluoroethyl)-2-(phenylmethoxymethyl)-[1,3]thiazolo[5,4-b]pyridine.
What is the SMILES notation for 6-(1,1,2,2,2-pentafluoroethyl)-2-(phenylmethoxymethyl)-[1,3]thiazolo[5,4-b]pyridine?
The canonical SMILES for 6-(1,1,2,2,2-pentafluoroethyl)-2-(phenylmethoxymethyl)-[1,3]thiazolo[5,4-b]pyridine is FC(F)(F)C(F)(F)c1cnc2sc(COCc3ccccc3)nc2c1.
What is the InChIKey of 6-(1,1,2,2,2-pentafluoroethyl)-2-(phenylmethoxymethyl)-[1,3]thiazolo[5,4-b]pyridine?
The InChIKey is PFPJYOOBHXJTNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F5N2OS/c17-15(18,16(19,20)21)11-6-12-14(22-7-11)25-13(23-12)9-24-8-10-4-2-1-3-5-10/h1-7H,8-9H2.
What are the key properties of 6-(1,1,2,2,2-pentafluoroethyl)-2-(phenylmethoxymethyl)-[1,3]thiazolo[5,4-b]pyridine?
6-(1,1,2,2,2-pentafluoroethyl)-2-(phenylmethoxymethyl)-[1,3]thiazolo[5,4-b]pyridine has a molecular weight of 374.33 g/mol, XLogP of 5.06, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,1,2,2,2-pentafluoroethyl)-2-(phenylmethoxymethyl)-[1,3]thiazolo[5,4-b]pyridine is sourced from PubChem (CID 118069615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).