3-fluoro-4-[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]oxybenzonitrile

C13H8FN3O2S — CID 107666116

IUPAC3-fluoro-4-[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]oxybenzonitrile
SMILESN#Cc1ccc(Oc2nc3sccn3c2CO)c(F)c1
InChIInChI=1S/C13H8FN3O2S/c14-9-5-8(6-15)1-2-11(9)19-12-10(7-18)17-3-4-20-13(17)16-12/h1-5,18H,7H2
InChIKeyNUMZFQBUWPRBNJ-UHFFFAOYSA-N
MW289.29 g/mol
LogP2.69
Rot. Bonds3

About 3-fluoro-4-[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]oxybenzonitrile

3-fluoro-4-[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]oxybenzonitrile (PubChem CID 107666116) has the molecular formula C13H8FN3O2S and a molecular weight of 289.29 g/mol. Its IUPAC name is 3-fluoro-4-[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]oxybenzonitrile.

Molecular Properties

Compound Name3-fluoro-4-[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]oxybenzonitrile
PubChem CID107666116
Molecular FormulaC13H8FN3O2S
Molecular Weight289.29 g/mol
Exact Mass289.03
IUPAC Name3-fluoro-4-[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]oxybenzonitrile
SMILESN#Cc1ccc(Oc2nc3sccn3c2CO)c(F)c1
InChIInChI=1S/C13H8FN3O2S/c14-9-5-8(6-15)1-2-11(9)19-12-10(7-18)17-3-4-20-13(17)16-12/h1-5,18H,7H2
InChIKeyNUMZFQBUWPRBNJ-UHFFFAOYSA-N
XLogP2.69
TPSA70.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-fluoro-4-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)oxybenzonitrile
CID 133376928
[6-(3-methylphenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methanol
CID 43476129
[6-(2,3-dichlorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methanol
CID 43476053
6-(4-cyanophenoxy)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 43475883
1-[6-(3-bromo-4-fluorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine
CID 83234476
[6-(3,5-difluorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 62785052
2-[6-(3,5-difluorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
CID 63803338
5-chloro-6-(4-cyano-2-fluorophenoxy)pyridine-3-carboxylic acid
CID 107670301
[6-(3-chloro-2-fluorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 116689579
3-fluoro-4-(2-methoxyphenoxy)benzonitrile
CID 43657455
4-(3-aminoquinoxalin-2-yl)oxy-3-fluorobenzonitrile
CID 107669541
N-[[6-(4-bromo-2-chlorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine
CID 43476755

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]oxybenzonitrile?
The IUPAC name of 3-fluoro-4-[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]oxybenzonitrile (CID 107666116) is 3-fluoro-4-[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]oxybenzonitrile.
What is the SMILES notation for 3-fluoro-4-[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]oxybenzonitrile?
The canonical SMILES for 3-fluoro-4-[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]oxybenzonitrile is N#Cc1ccc(Oc2nc3sccn3c2CO)c(F)c1.
What is the InChIKey of 3-fluoro-4-[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]oxybenzonitrile?
The InChIKey is NUMZFQBUWPRBNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8FN3O2S/c14-9-5-8(6-15)1-2-11(9)19-12-10(7-18)17-3-4-20-13(17)16-12/h1-5,18H,7H2.
What are the key properties of 3-fluoro-4-[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]oxybenzonitrile?
3-fluoro-4-[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]oxybenzonitrile has a molecular weight of 289.29 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]oxybenzonitrile is sourced from PubChem (CID 107666116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).