2-azabicyclo[2.2.1]heptan-2-yl-[3-(1,3-thiazol-2-yloxy)phenyl]methanone

C16H16N2O2S — CID 71875080

IUPAC2-azabicyclo[2.2.1]heptan-2-yl-[3-(1,3-thiazol-2-yloxy)phenyl]methanone
SMILESO=C(c1cccc(Oc2nccs2)c1)N1CC2CCC1C2
InChIInChI=1S/C16H16N2O2S/c19-15(18-10-11-4-5-13(18)8-11)12-2-1-3-14(9-12)20-16-17-6-7-21-16/h1-3,6-7,9,11,13H,4-5,8,10H2
InChIKeyKJGSYZBPHSHBAH-UHFFFAOYSA-N
MW300.38 g/mol
LogP3.56
Rot. Bonds3

About 2-azabicyclo[2.2.1]heptan-2-yl-[3-(1,3-thiazol-2-yloxy)phenyl]methanone

2-azabicyclo[2.2.1]heptan-2-yl-[3-(1,3-thiazol-2-yloxy)phenyl]methanone (PubChem CID 71875080) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is 2-azabicyclo[2.2.1]heptan-2-yl-[3-(1,3-thiazol-2-yloxy)phenyl]methanone.

Molecular Properties

Compound Name2-azabicyclo[2.2.1]heptan-2-yl-[3-(1,3-thiazol-2-yloxy)phenyl]methanone
PubChem CID71875080
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC Name2-azabicyclo[2.2.1]heptan-2-yl-[3-(1,3-thiazol-2-yloxy)phenyl]methanone
SMILESO=C(c1cccc(Oc2nccs2)c1)N1CC2CCC1C2
InChIInChI=1S/C16H16N2O2S/c19-15(18-10-11-4-5-13(18)8-11)12-2-1-3-14(9-12)20-16-17-6-7-21-16/h1-3,6-7,9,11,13H,4-5,8,10H2
InChIKeyKJGSYZBPHSHBAH-UHFFFAOYSA-N
XLogP3.56
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(2R)-1-[3-(1,3-thiazol-2-yloxy)benzoyl]azepan-2-yl]cyclohexan-1-one
CID 99717722
2-[1-[3-(1,3-thiazol-2-yloxy)benzoyl]azepan-2-yl]cyclohexan-1-one
CID 102560066
[4-[3-[(1S,4S)-2-azabicyclo[2.2.1]heptane-2-carbonyl]phenoxy]piperidin-1-yl]-cyclopropylmethanone
CID 45172491
2-azabicyclo[2.2.1]heptan-2-yl-[3-(chloromethyl)phenyl]methanone
CID 54980829
(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)-[4-(1,3-thiazol-2-yloxy)phenyl]methanone
CID 121186106
(3-phenylmethoxyphenyl)-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone
CID 90617761
6-azabicyclo[3.2.1]octan-6-yl(pyridin-3-yl)methanone
CID 117050693
N-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-3-(1,3-thiazol-2-yloxy)benzamide
CID 139006015
4-(2-azabicyclo[2.2.1]heptane-2-carbonyl)thiophene-2-sulfonamide
CID 62223272
2-[[3-(2-azabicyclo[2.2.1]heptane-2-carbonyl)phenyl]methoxy]benzamide
CID 48500164
2-azabicyclo[2.2.1]heptan-2-yl-(4-fluoro-3-sulfanylphenyl)methanone
CID 107025937
N-(1-azabicyclo[3.2.1]octan-3-yl)-4-(1,3-thiazol-2-yloxy)benzamide
CID 22573531

Frequently Asked Questions

What is the IUPAC name of 2-azabicyclo[2.2.1]heptan-2-yl-[3-(1,3-thiazol-2-yloxy)phenyl]methanone?
The IUPAC name of 2-azabicyclo[2.2.1]heptan-2-yl-[3-(1,3-thiazol-2-yloxy)phenyl]methanone (CID 71875080) is 2-azabicyclo[2.2.1]heptan-2-yl-[3-(1,3-thiazol-2-yloxy)phenyl]methanone.
What is the SMILES notation for 2-azabicyclo[2.2.1]heptan-2-yl-[3-(1,3-thiazol-2-yloxy)phenyl]methanone?
The canonical SMILES for 2-azabicyclo[2.2.1]heptan-2-yl-[3-(1,3-thiazol-2-yloxy)phenyl]methanone is O=C(c1cccc(Oc2nccs2)c1)N1CC2CCC1C2.
What is the InChIKey of 2-azabicyclo[2.2.1]heptan-2-yl-[3-(1,3-thiazol-2-yloxy)phenyl]methanone?
The InChIKey is KJGSYZBPHSHBAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c19-15(18-10-11-4-5-13(18)8-11)12-2-1-3-14(9-12)20-16-17-6-7-21-16/h1-3,6-7,9,11,13H,4-5,8,10H2.
What are the key properties of 2-azabicyclo[2.2.1]heptan-2-yl-[3-(1,3-thiazol-2-yloxy)phenyl]methanone?
2-azabicyclo[2.2.1]heptan-2-yl-[3-(1,3-thiazol-2-yloxy)phenyl]methanone has a molecular weight of 300.38 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azabicyclo[2.2.1]heptan-2-yl-[3-(1,3-thiazol-2-yloxy)phenyl]methanone is sourced from PubChem (CID 71875080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).