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

C19H20N4O2S — CID 158929150

IUPAC5-[2-(oxan-4-yl)-1,3-thiazol-5-yl]-3-(pyridin-4-ylmethoxy)pyridin-2-amine
SMILESNc1ncc(-c2cnc(C3CCOCC3)s2)cc1OCc1ccncc1
InChIInChI=1S/C19H20N4O2S/c20-18-16(25-12-13-1-5-21-6-2-13)9-15(10-22-18)17-11-23-19(26-17)14-3-7-24-8-4-14/h1-2,5-6,9-11,14H,3-4,7-8,12H2,(H2,20,22)
InChIKeyWPLYVKFBBIPKII-UHFFFAOYSA-N
MW368.46 g/mol
LogP3.66
Rot. Bonds5

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

5-[2-(oxan-4-yl)-1,3-thiazol-5-yl]-3-(pyridin-4-ylmethoxy)pyridin-2-amine (PubChem CID 158929150) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is 5-[2-(oxan-4-yl)-1,3-thiazol-5-yl]-3-(pyridin-4-ylmethoxy)pyridin-2-amine.

Molecular Properties

Compound Name5-[2-(oxan-4-yl)-1,3-thiazol-5-yl]-3-(pyridin-4-ylmethoxy)pyridin-2-amine
PubChem CID158929150
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC Name5-[2-(oxan-4-yl)-1,3-thiazol-5-yl]-3-(pyridin-4-ylmethoxy)pyridin-2-amine
SMILESNc1ncc(-c2cnc(C3CCOCC3)s2)cc1OCc1ccncc1
InChIInChI=1S/C19H20N4O2S/c20-18-16(25-12-13-1-5-21-6-2-13)9-15(10-22-18)17-11-23-19(26-17)14-3-7-24-8-4-14/h1-2,5-6,9-11,14H,3-4,7-8,12H2,(H2,20,22)
InChIKeyWPLYVKFBBIPKII-UHFFFAOYSA-N
XLogP3.66
TPSA83.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-(pyridin-4-ylmethoxy)pyridin-2-amine?
The IUPAC name of 5-[2-(oxan-4-yl)-1,3-thiazol-5-yl]-3-(pyridin-4-ylmethoxy)pyridin-2-amine (CID 158929150) is 5-[2-(oxan-4-yl)-1,3-thiazol-5-yl]-3-(pyridin-4-ylmethoxy)pyridin-2-amine.
What is the SMILES notation for 5-[2-(oxan-4-yl)-1,3-thiazol-5-yl]-3-(pyridin-4-ylmethoxy)pyridin-2-amine?
The canonical SMILES for 5-[2-(oxan-4-yl)-1,3-thiazol-5-yl]-3-(pyridin-4-ylmethoxy)pyridin-2-amine is Nc1ncc(-c2cnc(C3CCOCC3)s2)cc1OCc1ccncc1.
What is the InChIKey of 5-[2-(oxan-4-yl)-1,3-thiazol-5-yl]-3-(pyridin-4-ylmethoxy)pyridin-2-amine?
The InChIKey is WPLYVKFBBIPKII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S/c20-18-16(25-12-13-1-5-21-6-2-13)9-15(10-22-18)17-11-23-19(26-17)14-3-7-24-8-4-14/h1-2,5-6,9-11,14H,3-4,7-8,12H2,(H2,20,22).
What are the key properties of 5-[2-(oxan-4-yl)-1,3-thiazol-5-yl]-3-(pyridin-4-ylmethoxy)pyridin-2-amine?
5-[2-(oxan-4-yl)-1,3-thiazol-5-yl]-3-(pyridin-4-ylmethoxy)pyridin-2-amine has a molecular weight of 368.46 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(oxan-4-yl)-1,3-thiazol-5-yl]-3-(pyridin-4-ylmethoxy)pyridin-2-amine is sourced from PubChem (CID 158929150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).