(2-methyl-5-phenyl-1,3-thiazol-4-yl)-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone

C23H23N3O2S — CID 90412573

IUPAC(2-methyl-5-phenyl-1,3-thiazol-4-yl)-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone
SMILESCc1nc(C(=O)N2C3CCC2C(COc2ccccn2)C3)c(-c2ccccc2)s1
InChIInChI=1S/C23H23N3O2S/c1-15-25-21(22(29-15)16-7-3-2-4-8-16)23(27)26-18-10-11-19(26)17(13-18)14-28-20-9-5-6-12-24-20/h2-9,12,17-19H,10-11,13-14H2,1H3
InChIKeyRLTIQKDEPYFLJJ-UHFFFAOYSA-N
MW405.52 g/mol
LogP4.59
Rot. Bonds5

About (2-methyl-5-phenyl-1,3-thiazol-4-yl)-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone

(2-methyl-5-phenyl-1,3-thiazol-4-yl)-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone (PubChem CID 90412573) has the molecular formula C23H23N3O2S and a molecular weight of 405.52 g/mol. Its IUPAC name is (2-methyl-5-phenyl-1,3-thiazol-4-yl)-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone.

Molecular Properties

Compound Name(2-methyl-5-phenyl-1,3-thiazol-4-yl)-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone
PubChem CID90412573
Molecular FormulaC23H23N3O2S
Molecular Weight405.52 g/mol
Exact Mass405.15
IUPAC Name(2-methyl-5-phenyl-1,3-thiazol-4-yl)-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone
SMILESCc1nc(C(=O)N2C3CCC2C(COc2ccccn2)C3)c(-c2ccccc2)s1
InChIInChI=1S/C23H23N3O2S/c1-15-25-21(22(29-15)16-7-3-2-4-8-16)23(27)26-18-10-11-19(26)17(13-18)14-28-20-9-5-6-12-24-20/h2-9,12,17-19H,10-11,13-14H2,1H3
InChIKeyRLTIQKDEPYFLJJ-UHFFFAOYSA-N
XLogP4.59
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2-methyl-5-phenyl-1,3-thiazol-4-yl)-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2-methyl-5-phenyl-1,3-thiazol-4-yl)-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone?
The IUPAC name of (2-methyl-5-phenyl-1,3-thiazol-4-yl)-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone (CID 90412573) is (2-methyl-5-phenyl-1,3-thiazol-4-yl)-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone.
What is the SMILES notation for (2-methyl-5-phenyl-1,3-thiazol-4-yl)-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone?
The canonical SMILES for (2-methyl-5-phenyl-1,3-thiazol-4-yl)-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone is Cc1nc(C(=O)N2C3CCC2C(COc2ccccn2)C3)c(-c2ccccc2)s1.
What is the InChIKey of (2-methyl-5-phenyl-1,3-thiazol-4-yl)-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone?
The InChIKey is RLTIQKDEPYFLJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2S/c1-15-25-21(22(29-15)16-7-3-2-4-8-16)23(27)26-18-10-11-19(26)17(13-18)14-28-20-9-5-6-12-24-20/h2-9,12,17-19H,10-11,13-14H2,1H3.
What are the key properties of (2-methyl-5-phenyl-1,3-thiazol-4-yl)-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone?
(2-methyl-5-phenyl-1,3-thiazol-4-yl)-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone has a molecular weight of 405.52 g/mol, XLogP of 4.59, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-5-phenyl-1,3-thiazol-4-yl)-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone is sourced from PubChem (CID 90412573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).