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

C20H23N5OS — CID 158487749

IUPAC5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-(pyridin-4-ylmethoxy)pyridin-2-amine
SMILESCN1CCC(c2ncc(-c3cnc(N)c(OCc4ccncc4)c3)s2)CC1
InChIInChI=1S/C20H23N5OS/c1-25-8-4-15(5-9-25)20-24-12-18(27-20)16-10-17(19(21)23-11-16)26-13-14-2-6-22-7-3-14/h2-3,6-7,10-12,15H,4-5,8-9,13H2,1H3,(H2,21,23)
InChIKeyBNBKJKFOBIRBPI-UHFFFAOYSA-N
MW381.51 g/mol
LogP3.57
Rot. Bonds5

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

5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-(pyridin-4-ylmethoxy)pyridin-2-amine (PubChem CID 158487749) has the molecular formula C20H23N5OS and a molecular weight of 381.51 g/mol. Its IUPAC name is 5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-(pyridin-4-ylmethoxy)pyridin-2-amine.

Molecular Properties

Compound Name5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-(pyridin-4-ylmethoxy)pyridin-2-amine
PubChem CID158487749
Molecular FormulaC20H23N5OS
Molecular Weight381.51 g/mol
Exact Mass381.16
IUPAC Name5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-(pyridin-4-ylmethoxy)pyridin-2-amine
SMILESCN1CCC(c2ncc(-c3cnc(N)c(OCc4ccncc4)c3)s2)CC1
InChIInChI=1S/C20H23N5OS/c1-25-8-4-15(5-9-25)20-24-12-18(27-20)16-10-17(19(21)23-11-16)26-13-14-2-6-22-7-3-14/h2-3,6-7,10-12,15H,4-5,8-9,13H2,1H3,(H2,21,23)
InChIKeyBNBKJKFOBIRBPI-UHFFFAOYSA-N
XLogP3.57
TPSA77.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.51
LogP ≤ 53.57
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-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-(pyridin-4-ylmethoxy)pyridin-2-amine?
The IUPAC name of 5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-(pyridin-4-ylmethoxy)pyridin-2-amine (CID 158487749) is 5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-(pyridin-4-ylmethoxy)pyridin-2-amine.
What is the SMILES notation for 5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-(pyridin-4-ylmethoxy)pyridin-2-amine?
The canonical SMILES for 5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-(pyridin-4-ylmethoxy)pyridin-2-amine is CN1CCC(c2ncc(-c3cnc(N)c(OCc4ccncc4)c3)s2)CC1.
What is the InChIKey of 5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-(pyridin-4-ylmethoxy)pyridin-2-amine?
The InChIKey is BNBKJKFOBIRBPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5OS/c1-25-8-4-15(5-9-25)20-24-12-18(27-20)16-10-17(19(21)23-11-16)26-13-14-2-6-22-7-3-14/h2-3,6-7,10-12,15H,4-5,8-9,13H2,1H3,(H2,21,23).
What are the key properties of 5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-(pyridin-4-ylmethoxy)pyridin-2-amine?
5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-(pyridin-4-ylmethoxy)pyridin-2-amine has a molecular weight of 381.51 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-(pyridin-4-ylmethoxy)pyridin-2-amine is sourced from PubChem (CID 158487749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).