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

C21H25N5OS — CID 162672976

IUPAC5-[2-(1-ethylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-(pyridin-4-ylmethoxy)pyridin-2-amine
SMILESCCN1CCC(c2ncc(-c3cnc(N)c(OCc4ccncc4)c3)s2)CC1
InChIInChI=1S/C21H25N5OS/c1-2-26-9-5-16(6-10-26)21-25-13-19(28-21)17-11-18(20(22)24-12-17)27-14-15-3-7-23-8-4-15/h3-4,7-8,11-13,16H,2,5-6,9-10,14H2,1H3,(H2,22,24)
InChIKeyTXTGAMLGBOIHAX-UHFFFAOYSA-N
MW395.53 g/mol
LogP3.96
Rot. Bonds6

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

5-[2-(1-ethylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-(pyridin-4-ylmethoxy)pyridin-2-amine (PubChem CID 162672976) has the molecular formula C21H25N5OS and a molecular weight of 395.53 g/mol. Its IUPAC name is 5-[2-(1-ethylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-(pyridin-4-ylmethoxy)pyridin-2-amine.

Molecular Properties

Compound Name5-[2-(1-ethylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-(pyridin-4-ylmethoxy)pyridin-2-amine
PubChem CID162672976
Molecular FormulaC21H25N5OS
Molecular Weight395.53 g/mol
Exact Mass395.18
IUPAC Name5-[2-(1-ethylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-(pyridin-4-ylmethoxy)pyridin-2-amine
SMILESCCN1CCC(c2ncc(-c3cnc(N)c(OCc4ccncc4)c3)s2)CC1
InChIInChI=1S/C21H25N5OS/c1-2-26-9-5-16(6-10-26)21-25-13-19(28-21)17-11-18(20(22)24-12-17)27-14-15-3-7-23-8-4-15/h3-4,7-8,11-13,16H,2,5-6,9-10,14H2,1H3,(H2,22,24)
InChIKeyTXTGAMLGBOIHAX-UHFFFAOYSA-N
XLogP3.96
TPSA77.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 53.96
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-ethylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-(pyridin-4-ylmethoxy)pyridin-2-amine?
The IUPAC name of 5-[2-(1-ethylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-(pyridin-4-ylmethoxy)pyridin-2-amine (CID 162672976) is 5-[2-(1-ethylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-(pyridin-4-ylmethoxy)pyridin-2-amine.
What is the SMILES notation for 5-[2-(1-ethylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-(pyridin-4-ylmethoxy)pyridin-2-amine?
The canonical SMILES for 5-[2-(1-ethylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-(pyridin-4-ylmethoxy)pyridin-2-amine is CCN1CCC(c2ncc(-c3cnc(N)c(OCc4ccncc4)c3)s2)CC1.
What is the InChIKey of 5-[2-(1-ethylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-(pyridin-4-ylmethoxy)pyridin-2-amine?
The InChIKey is TXTGAMLGBOIHAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5OS/c1-2-26-9-5-16(6-10-26)21-25-13-19(28-21)17-11-18(20(22)24-12-17)27-14-15-3-7-23-8-4-15/h3-4,7-8,11-13,16H,2,5-6,9-10,14H2,1H3,(H2,22,24).
What are the key properties of 5-[2-(1-ethylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-(pyridin-4-ylmethoxy)pyridin-2-amine?
5-[2-(1-ethylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-(pyridin-4-ylmethoxy)pyridin-2-amine has a molecular weight of 395.53 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(1-ethylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-(pyridin-4-ylmethoxy)pyridin-2-amine is sourced from PubChem (CID 162672976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).