(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)-(4-thiophen-2-yl-1,3-thiazol-2-yl)methanone

C20H19N3O2S2 — CID 121186653

IUPAC(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)-(4-thiophen-2-yl-1,3-thiazol-2-yl)methanone
SMILESO=C(c1nc(-c2cccs2)cs1)N1C2CCC1CC(Oc1ccncc1)C2
InChIInChI=1S/C20H19N3O2S2/c24-20(19-22-17(12-27-19)18-2-1-9-26-18)23-13-3-4-14(23)11-16(10-13)25-15-5-7-21-8-6-15/h1-2,5-9,12-14,16H,3-4,10-11H2
InChIKeyGHDBLTBYPRBVPR-UHFFFAOYSA-N
MW397.53 g/mol
LogP4.48
Rot. Bonds4

About (3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)-(4-thiophen-2-yl-1,3-thiazol-2-yl)methanone

(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)-(4-thiophen-2-yl-1,3-thiazol-2-yl)methanone (PubChem CID 121186653) has the molecular formula C20H19N3O2S2 and a molecular weight of 397.53 g/mol. Its IUPAC name is (3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)-(4-thiophen-2-yl-1,3-thiazol-2-yl)methanone.

Molecular Properties

Compound Name(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)-(4-thiophen-2-yl-1,3-thiazol-2-yl)methanone
PubChem CID121186653
Molecular FormulaC20H19N3O2S2
Molecular Weight397.53 g/mol
Exact Mass397.09
IUPAC Name(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)-(4-thiophen-2-yl-1,3-thiazol-2-yl)methanone
SMILESO=C(c1nc(-c2cccs2)cs1)N1C2CCC1CC(Oc1ccncc1)C2
InChIInChI=1S/C20H19N3O2S2/c24-20(19-22-17(12-27-19)18-2-1-9-26-18)23-13-3-4-14(23)11-16(10-13)25-15-5-7-21-8-6-15/h1-2,5-9,12-14,16H,3-4,10-11H2
InChIKeyGHDBLTBYPRBVPR-UHFFFAOYSA-N
XLogP4.48
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.53
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)-(4-thiophen-2-yl-1,3-thiazol-2-yl)methanone?
The IUPAC name of (3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)-(4-thiophen-2-yl-1,3-thiazol-2-yl)methanone (CID 121186653) is (3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)-(4-thiophen-2-yl-1,3-thiazol-2-yl)methanone.
What is the SMILES notation for (3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)-(4-thiophen-2-yl-1,3-thiazol-2-yl)methanone?
The canonical SMILES for (3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)-(4-thiophen-2-yl-1,3-thiazol-2-yl)methanone is O=C(c1nc(-c2cccs2)cs1)N1C2CCC1CC(Oc1ccncc1)C2.
What is the InChIKey of (3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)-(4-thiophen-2-yl-1,3-thiazol-2-yl)methanone?
The InChIKey is GHDBLTBYPRBVPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2S2/c24-20(19-22-17(12-27-19)18-2-1-9-26-18)23-13-3-4-14(23)11-16(10-13)25-15-5-7-21-8-6-15/h1-2,5-9,12-14,16H,3-4,10-11H2.
What are the key properties of (3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)-(4-thiophen-2-yl-1,3-thiazol-2-yl)methanone?
(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)-(4-thiophen-2-yl-1,3-thiazol-2-yl)methanone has a molecular weight of 397.53 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)-(4-thiophen-2-yl-1,3-thiazol-2-yl)methanone is sourced from PubChem (CID 121186653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).