2-[5-[[(5R,6R)-6-fluoro-2-methyl-2-azabicyclo[2.2.1]heptan-5-yl]oxy]-1,3,4-thiadiazol-2-yl]-5-imidazol-1-ylphenol

C18H18FN5O2S — CID 167368721

IUPAC2-[5-[[(5R,6R)-6-fluoro-2-methyl-2-azabicyclo[2.2.1]heptan-5-yl]oxy]-1,3,4-thiadiazol-2-yl]-5-imidazol-1-ylphenol
SMILESCN1CC2CC1[C@@H](F)[C@@H]2Oc1nnc(-c2ccc(-n3ccnc3)cc2O)s1
InChIInChI=1S/C18H18FN5O2S/c1-23-8-10-6-13(23)15(19)16(10)26-18-22-21-17(27-18)12-3-2-11(7-14(12)25)24-5-4-20-9-24/h2-5,7,9-10,13,15-16,25H,6,8H2,1H3/t10?,13?,15-,16-/m1/s1
InChIKeyJIMYEDJSEIJIOS-LWXRVASPSA-N
MW387.44 g/mol
LogP2.52
Rot. Bonds4

About 2-[5-[[(5R,6R)-6-fluoro-2-methyl-2-azabicyclo[2.2.1]heptan-5-yl]oxy]-1,3,4-thiadiazol-2-yl]-5-imidazol-1-ylphenol

2-[5-[[(5R,6R)-6-fluoro-2-methyl-2-azabicyclo[2.2.1]heptan-5-yl]oxy]-1,3,4-thiadiazol-2-yl]-5-imidazol-1-ylphenol (PubChem CID 167368721) has the molecular formula C18H18FN5O2S and a molecular weight of 387.44 g/mol. Its IUPAC name is 2-[5-[[(5R,6R)-6-fluoro-2-methyl-2-azabicyclo[2.2.1]heptan-5-yl]oxy]-1,3,4-thiadiazol-2-yl]-5-imidazol-1-ylphenol.

Molecular Properties

Compound Name2-[5-[[(5R,6R)-6-fluoro-2-methyl-2-azabicyclo[2.2.1]heptan-5-yl]oxy]-1,3,4-thiadiazol-2-yl]-5-imidazol-1-ylphenol
PubChem CID167368721
Molecular FormulaC18H18FN5O2S
Molecular Weight387.44 g/mol
Exact Mass387.12
IUPAC Name2-[5-[[(5R,6R)-6-fluoro-2-methyl-2-azabicyclo[2.2.1]heptan-5-yl]oxy]-1,3,4-thiadiazol-2-yl]-5-imidazol-1-ylphenol
SMILESCN1CC2CC1[C@@H](F)[C@@H]2Oc1nnc(-c2ccc(-n3ccnc3)cc2O)s1
InChIInChI=1S/C18H18FN5O2S/c1-23-8-10-6-13(23)15(19)16(10)26-18-22-21-17(27-18)12-3-2-11(7-14(12)25)24-5-4-20-9-24/h2-5,7,9-10,13,15-16,25H,6,8H2,1H3/t10?,13?,15-,16-/m1/s1
InChIKeyJIMYEDJSEIJIOS-LWXRVASPSA-N
XLogP2.52
TPSA76.30 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[5-[[(5R,6R)-6-fluoro-2-methyl-2-azabicyclo[2.2.1]heptan-5-yl]oxy]-1,3,4-thiadiazol-2-yl]-5-imidazol-1-ylphenol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[[(5R,6R)-6-fluoro-2-methyl-2-azabicyclo[2.2.1]heptan-5-yl]oxy]-1,3,4-thiadiazol-2-yl]-5-imidazol-1-ylphenol?
The IUPAC name of 2-[5-[[(5R,6R)-6-fluoro-2-methyl-2-azabicyclo[2.2.1]heptan-5-yl]oxy]-1,3,4-thiadiazol-2-yl]-5-imidazol-1-ylphenol (CID 167368721) is 2-[5-[[(5R,6R)-6-fluoro-2-methyl-2-azabicyclo[2.2.1]heptan-5-yl]oxy]-1,3,4-thiadiazol-2-yl]-5-imidazol-1-ylphenol.
What is the SMILES notation for 2-[5-[[(5R,6R)-6-fluoro-2-methyl-2-azabicyclo[2.2.1]heptan-5-yl]oxy]-1,3,4-thiadiazol-2-yl]-5-imidazol-1-ylphenol?
The canonical SMILES for 2-[5-[[(5R,6R)-6-fluoro-2-methyl-2-azabicyclo[2.2.1]heptan-5-yl]oxy]-1,3,4-thiadiazol-2-yl]-5-imidazol-1-ylphenol is CN1CC2CC1[C@@H](F)[C@@H]2Oc1nnc(-c2ccc(-n3ccnc3)cc2O)s1.
What is the InChIKey of 2-[5-[[(5R,6R)-6-fluoro-2-methyl-2-azabicyclo[2.2.1]heptan-5-yl]oxy]-1,3,4-thiadiazol-2-yl]-5-imidazol-1-ylphenol?
The InChIKey is JIMYEDJSEIJIOS-LWXRVASPSA-N. The full InChI is InChI=1S/C18H18FN5O2S/c1-23-8-10-6-13(23)15(19)16(10)26-18-22-21-17(27-18)12-3-2-11(7-14(12)25)24-5-4-20-9-24/h2-5,7,9-10,13,15-16,25H,6,8H2,1H3/t10?,13?,15-,16-/m1/s1.
What are the key properties of 2-[5-[[(5R,6R)-6-fluoro-2-methyl-2-azabicyclo[2.2.1]heptan-5-yl]oxy]-1,3,4-thiadiazol-2-yl]-5-imidazol-1-ylphenol?
2-[5-[[(5R,6R)-6-fluoro-2-methyl-2-azabicyclo[2.2.1]heptan-5-yl]oxy]-1,3,4-thiadiazol-2-yl]-5-imidazol-1-ylphenol has a molecular weight of 387.44 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[(5R,6R)-6-fluoro-2-methyl-2-azabicyclo[2.2.1]heptan-5-yl]oxy]-1,3,4-thiadiazol-2-yl]-5-imidazol-1-ylphenol is sourced from PubChem (CID 167368721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).