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

C18H19FN6OS — CID 167369123

IUPAC2-[5-[[(5R,6R)-6-fluoro-2-azabicyclo[2.2.1]heptan-5-yl]-methylamino]-1,3,4-thiadiazol-2-yl]-5-imidazol-1-ylphenol
SMILESCN(c1nnc(-c2ccc(-n3ccnc3)cc2O)s1)[C@@H]1C2CNC(C2)[C@H]1F
InChIInChI=1S/C18H19FN6OS/c1-24(16-10-6-13(15(16)19)21-8-10)18-23-22-17(27-18)12-3-2-11(7-14(12)26)25-5-4-20-9-25/h2-5,7,9-10,13,15-16,21,26H,6,8H2,1H3/t10?,13?,15-,16-/m1/s1
InChIKeyBGDPHHDHIGPVLW-LWXRVASPSA-N
MW386.46 g/mol
LogP2.23
Rot. Bonds4

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

2-[5-[[(5R,6R)-6-fluoro-2-azabicyclo[2.2.1]heptan-5-yl]-methylamino]-1,3,4-thiadiazol-2-yl]-5-imidazol-1-ylphenol (PubChem CID 167369123) has the molecular formula C18H19FN6OS and a molecular weight of 386.46 g/mol. Its IUPAC name is 2-[5-[[(5R,6R)-6-fluoro-2-azabicyclo[2.2.1]heptan-5-yl]-methylamino]-1,3,4-thiadiazol-2-yl]-5-imidazol-1-ylphenol.

Molecular Properties

Compound Name2-[5-[[(5R,6R)-6-fluoro-2-azabicyclo[2.2.1]heptan-5-yl]-methylamino]-1,3,4-thiadiazol-2-yl]-5-imidazol-1-ylphenol
PubChem CID167369123
Molecular FormulaC18H19FN6OS
Molecular Weight386.46 g/mol
Exact Mass386.13
IUPAC Name2-[5-[[(5R,6R)-6-fluoro-2-azabicyclo[2.2.1]heptan-5-yl]-methylamino]-1,3,4-thiadiazol-2-yl]-5-imidazol-1-ylphenol
SMILESCN(c1nnc(-c2ccc(-n3ccnc3)cc2O)s1)[C@@H]1C2CNC(C2)[C@H]1F
InChIInChI=1S/C18H19FN6OS/c1-24(16-10-6-13(15(16)19)21-8-10)18-23-22-17(27-18)12-3-2-11(7-14(12)26)25-5-4-20-9-25/h2-5,7,9-10,13,15-16,21,26H,6,8H2,1H3/t10?,13?,15-,16-/m1/s1
InChIKeyBGDPHHDHIGPVLW-LWXRVASPSA-N
XLogP2.23
TPSA79.10 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Related Compounds

2-[6-[[(5S,6S)-6-fluoro-2-azabicyclo[2.2.1]heptan-5-yl]oxy]pyridazin-3-yl]-5-imidazol-1-ylphenol
CID 167369681
4-[4-[5-[[(5R,6R)-6-fluoro-2-azabicyclo[2.2.2]octan-5-yl]-methylamino]-1,3,4-thiadiazol-2-yl]-3-hydroxyphenyl]-1-methyl-1,3,5-triazin-2-one
CID 167369187
2-[6-[[(1S,4S,5S,6S)-6-fluoro-2-methyl-2-azabicyclo[2.2.1]heptan-5-yl]-methylamino]pyridazin-3-yl]-5-imidazol-1-ylphenol
CID 167369310
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
2-[6-[[(5S,6S)-6-fluoro-2-methyl-2-azabicyclo[2.2.1]heptan-5-yl]-methylamino]pyridazin-3-yl]-5-imidazol-1-ylphenol
CID 167369846
2-[5-[[(1R,5R,6R)-6-fluoro-1-methyl-2-azabicyclo[2.2.1]heptan-5-yl]oxy]-1,3,4-thiadiazol-2-yl]-5-imidazol-1-ylphenol
CID 167369224
2-[6-[[(1S,4S,5R,6S)-6-fluoro-2-azabicyclo[2.2.2]octan-5-yl]oxy]pyridazin-3-yl]-5-imidazol-1-ylphenol
CID 175847605
4-[4-[6-[[(5R,6R)-6-fluoro-2-azabicyclo[2.2.1]heptan-5-yl]-methylamino]pyridazin-3-yl]-3-hydroxyphenyl]-1-methylpyridin-2-one
CID 167369547
2-[6-[[(5S,6R)-6-fluoro-2-methyl-2-azabicyclo[2.2.2]octan-5-yl]-methylamino]pyridazin-3-yl]-5-imidazol-1-ylphenol
CID 167369654
2-[6-[[(1R,4R,5R,6R)-6-fluoro-1-methyl-2-azabicyclo[2.2.1]heptan-5-yl]-methylamino]pyridazin-3-yl]-5-imidazol-1-ylphenol
CID 175847729
2-[6-[[(1S,5S,6R)-6-fluoro-1-methyl-2-azabicyclo[2.2.2]octan-5-yl]-methylamino]pyridazin-3-yl]-5-imidazol-1-ylphenol
CID 167369685
2-[6-[[(2R,3R,6S)-2,6-difluoro-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]-1,2,4-triazin-3-yl]-5-imidazol-1-ylphenol
CID 166580242

Frequently Asked Questions

What is the IUPAC name of 2-[5-[[(5R,6R)-6-fluoro-2-azabicyclo[2.2.1]heptan-5-yl]-methylamino]-1,3,4-thiadiazol-2-yl]-5-imidazol-1-ylphenol?
The IUPAC name of 2-[5-[[(5R,6R)-6-fluoro-2-azabicyclo[2.2.1]heptan-5-yl]-methylamino]-1,3,4-thiadiazol-2-yl]-5-imidazol-1-ylphenol (CID 167369123) is 2-[5-[[(5R,6R)-6-fluoro-2-azabicyclo[2.2.1]heptan-5-yl]-methylamino]-1,3,4-thiadiazol-2-yl]-5-imidazol-1-ylphenol.
What is the SMILES notation for 2-[5-[[(5R,6R)-6-fluoro-2-azabicyclo[2.2.1]heptan-5-yl]-methylamino]-1,3,4-thiadiazol-2-yl]-5-imidazol-1-ylphenol?
The canonical SMILES for 2-[5-[[(5R,6R)-6-fluoro-2-azabicyclo[2.2.1]heptan-5-yl]-methylamino]-1,3,4-thiadiazol-2-yl]-5-imidazol-1-ylphenol is CN(c1nnc(-c2ccc(-n3ccnc3)cc2O)s1)[C@@H]1C2CNC(C2)[C@H]1F.
What is the InChIKey of 2-[5-[[(5R,6R)-6-fluoro-2-azabicyclo[2.2.1]heptan-5-yl]-methylamino]-1,3,4-thiadiazol-2-yl]-5-imidazol-1-ylphenol?
The InChIKey is BGDPHHDHIGPVLW-LWXRVASPSA-N. The full InChI is InChI=1S/C18H19FN6OS/c1-24(16-10-6-13(15(16)19)21-8-10)18-23-22-17(27-18)12-3-2-11(7-14(12)26)25-5-4-20-9-25/h2-5,7,9-10,13,15-16,21,26H,6,8H2,1H3/t10?,13?,15-,16-/m1/s1.
What are the key properties of 2-[5-[[(5R,6R)-6-fluoro-2-azabicyclo[2.2.1]heptan-5-yl]-methylamino]-1,3,4-thiadiazol-2-yl]-5-imidazol-1-ylphenol?
2-[5-[[(5R,6R)-6-fluoro-2-azabicyclo[2.2.1]heptan-5-yl]-methylamino]-1,3,4-thiadiazol-2-yl]-5-imidazol-1-ylphenol has a molecular weight of 386.46 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[(5R,6R)-6-fluoro-2-azabicyclo[2.2.1]heptan-5-yl]-methylamino]-1,3,4-thiadiazol-2-yl]-5-imidazol-1-ylphenol is sourced from PubChem (CID 167369123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).