5-[2-(oxan-4-yl)-1,3-thiazol-5-yl]-3-phenylmethoxypyridin-2-amine

C20H21N3O2S — CID 158487748

IUPAC5-[2-(oxan-4-yl)-1,3-thiazol-5-yl]-3-phenylmethoxypyridin-2-amine
SMILESNc1ncc(-c2cnc(C3CCOCC3)s2)cc1OCc1ccccc1
InChIInChI=1S/C20H21N3O2S/c21-19-17(25-13-14-4-2-1-3-5-14)10-16(11-22-19)18-12-23-20(26-18)15-6-8-24-9-7-15/h1-5,10-12,15H,6-9,13H2,(H2,21,22)
InChIKeyUQGXBLHBOSJEPK-UHFFFAOYSA-N
MW367.47 g/mol
LogP4.26
Rot. Bonds5

About 5-[2-(oxan-4-yl)-1,3-thiazol-5-yl]-3-phenylmethoxypyridin-2-amine

5-[2-(oxan-4-yl)-1,3-thiazol-5-yl]-3-phenylmethoxypyridin-2-amine (PubChem CID 158487748) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is 5-[2-(oxan-4-yl)-1,3-thiazol-5-yl]-3-phenylmethoxypyridin-2-amine.

Molecular Properties

Compound Name5-[2-(oxan-4-yl)-1,3-thiazol-5-yl]-3-phenylmethoxypyridin-2-amine
PubChem CID158487748
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC Name5-[2-(oxan-4-yl)-1,3-thiazol-5-yl]-3-phenylmethoxypyridin-2-amine
SMILESNc1ncc(-c2cnc(C3CCOCC3)s2)cc1OCc1ccccc1
InChIInChI=1S/C20H21N3O2S/c21-19-17(25-13-14-4-2-1-3-5-14)10-16(11-22-19)18-12-23-20(26-18)15-6-8-24-9-7-15/h1-5,10-12,15H,6-9,13H2,(H2,21,22)
InChIKeyUQGXBLHBOSJEPK-UHFFFAOYSA-N
XLogP4.26
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_OC_no_alk_C(3)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(oxan-4-yl)-1,3-thiazol-5-yl]-3-phenylmethoxypyridin-2-amine?
The IUPAC name of 5-[2-(oxan-4-yl)-1,3-thiazol-5-yl]-3-phenylmethoxypyridin-2-amine (CID 158487748) is 5-[2-(oxan-4-yl)-1,3-thiazol-5-yl]-3-phenylmethoxypyridin-2-amine.
What is the SMILES notation for 5-[2-(oxan-4-yl)-1,3-thiazol-5-yl]-3-phenylmethoxypyridin-2-amine?
The canonical SMILES for 5-[2-(oxan-4-yl)-1,3-thiazol-5-yl]-3-phenylmethoxypyridin-2-amine is Nc1ncc(-c2cnc(C3CCOCC3)s2)cc1OCc1ccccc1.
What is the InChIKey of 5-[2-(oxan-4-yl)-1,3-thiazol-5-yl]-3-phenylmethoxypyridin-2-amine?
The InChIKey is UQGXBLHBOSJEPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2S/c21-19-17(25-13-14-4-2-1-3-5-14)10-16(11-22-19)18-12-23-20(26-18)15-6-8-24-9-7-15/h1-5,10-12,15H,6-9,13H2,(H2,21,22).
What are the key properties of 5-[2-(oxan-4-yl)-1,3-thiazol-5-yl]-3-phenylmethoxypyridin-2-amine?
5-[2-(oxan-4-yl)-1,3-thiazol-5-yl]-3-phenylmethoxypyridin-2-amine has a molecular weight of 367.47 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(oxan-4-yl)-1,3-thiazol-5-yl]-3-phenylmethoxypyridin-2-amine is sourced from PubChem (CID 158487748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).