2-[[(5S)-5-pyridin-3-yloxy-2-azabicyclo[2.2.1]heptan-2-yl]methyl]-1,3-thiazole

C15H17N3OS — CID 131641785

IUPAC2-[[(5S)-5-pyridin-3-yloxy-2-azabicyclo[2.2.1]heptan-2-yl]methyl]-1,3-thiazole
SMILESc1cncc(O[C@H]2CC3CC2CN3Cc2nccs2)c1
InChIInChI=1S/C15H17N3OS/c1-2-13(8-16-3-1)19-14-7-12-6-11(14)9-18(12)10-15-17-4-5-20-15/h1-5,8,11-12,14H,6-7,9-10H2/t11?,12?,14-/m0/s1
InChIKeyGDTOFWCNKRUINE-YIZWMMSDSA-N
MW287.39 g/mol
LogP2.58
Rot. Bonds4

About 2-[[(5S)-5-pyridin-3-yloxy-2-azabicyclo[2.2.1]heptan-2-yl]methyl]-1,3-thiazole

2-[[(5S)-5-pyridin-3-yloxy-2-azabicyclo[2.2.1]heptan-2-yl]methyl]-1,3-thiazole (PubChem CID 131641785) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is 2-[[(5S)-5-pyridin-3-yloxy-2-azabicyclo[2.2.1]heptan-2-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[[(5S)-5-pyridin-3-yloxy-2-azabicyclo[2.2.1]heptan-2-yl]methyl]-1,3-thiazole
PubChem CID131641785
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC Name2-[[(5S)-5-pyridin-3-yloxy-2-azabicyclo[2.2.1]heptan-2-yl]methyl]-1,3-thiazole
SMILESc1cncc(O[C@H]2CC3CC2CN3Cc2nccs2)c1
InChIInChI=1S/C15H17N3OS/c1-2-13(8-16-3-1)19-14-7-12-6-11(14)9-18(12)10-15-17-4-5-20-15/h1-5,8,11-12,14H,6-7,9-10H2/t11?,12?,14-/m0/s1
InChIKeyGDTOFWCNKRUINE-YIZWMMSDSA-N
XLogP2.58
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[[(5S)-5-pyridin-3-yloxy-2-azabicyclo[2.2.1]heptan-2-yl]methyl]-1,3-thiazole with MolForge

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Related Compounds

3-hydroxy-1-[(1S,4R,5R)-5-pyridin-3-yloxy-2-azabicyclo[2.2.1]heptan-2-yl]propan-1-one
CID 98779521
4-oxo-4-[(1S,4R,5R)-5-pyridin-3-yloxy-2-azabicyclo[2.2.1]heptan-2-yl]butanoic acid
CID 98779519
2-[[(6R)-6-(pyridin-3-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methyl]-1,3-thiazole
CID 97462413
(3R,3aR,7aS)-1-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-pyridin-3-yloxy-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole
CID 133139976
N-[[(2S,4S)-4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]methyl]-2-pyridin-3-ylacetamide
CID 128991837
(3aR,7aR)-4-(pyridin-3-ylmethyl)-1-(1,3-thiazol-2-ylmethyl)-2,3,3a,6,7,7a-hexahydropyrrolo[3,2-b]pyridin-5-one
CID 124792433
2-[[(7R,8aR)-7-pyrimidin-5-yloxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]-1,3-thiazole
CID 124520148
7-pyridin-3-yloxy-2-(1,3-thiazol-2-ylmethyl)-5-thia-2-azaspiro[3.4]octane;bis(2,2,2-trifluoroacetic acid)
CID 155824411
2-(2-pyridin-3-ylethyl)-1,3-thiazole
CID 141425533
(4aR,7S,7aR)-7-(pyridin-3-ylmethoxymethyl)-4-(1,3-thiazol-2-ylmethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine
CID 97378133
2-[[3-(pyridin-3-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazole
CID 127246448
methyl 3-[[(3aS,5R,6R,7aR)-6-hydroxy-2-(1,3-thiazol-2-ylmethyl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-yl]oxy]benzoate
CID 172662510

Frequently Asked Questions

What is the IUPAC name of 2-[[(5S)-5-pyridin-3-yloxy-2-azabicyclo[2.2.1]heptan-2-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-[[(5S)-5-pyridin-3-yloxy-2-azabicyclo[2.2.1]heptan-2-yl]methyl]-1,3-thiazole (CID 131641785) is 2-[[(5S)-5-pyridin-3-yloxy-2-azabicyclo[2.2.1]heptan-2-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-[[(5S)-5-pyridin-3-yloxy-2-azabicyclo[2.2.1]heptan-2-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-[[(5S)-5-pyridin-3-yloxy-2-azabicyclo[2.2.1]heptan-2-yl]methyl]-1,3-thiazole is c1cncc(O[C@H]2CC3CC2CN3Cc2nccs2)c1.
What is the InChIKey of 2-[[(5S)-5-pyridin-3-yloxy-2-azabicyclo[2.2.1]heptan-2-yl]methyl]-1,3-thiazole?
The InChIKey is GDTOFWCNKRUINE-YIZWMMSDSA-N. The full InChI is InChI=1S/C15H17N3OS/c1-2-13(8-16-3-1)19-14-7-12-6-11(14)9-18(12)10-15-17-4-5-20-15/h1-5,8,11-12,14H,6-7,9-10H2/t11?,12?,14-/m0/s1.
What are the key properties of 2-[[(5S)-5-pyridin-3-yloxy-2-azabicyclo[2.2.1]heptan-2-yl]methyl]-1,3-thiazole?
2-[[(5S)-5-pyridin-3-yloxy-2-azabicyclo[2.2.1]heptan-2-yl]methyl]-1,3-thiazole has a molecular weight of 287.39 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(5S)-5-pyridin-3-yloxy-2-azabicyclo[2.2.1]heptan-2-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 131641785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).