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

C21H25N5OS — CID 159661154

IUPAC5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-(1-pyridin-4-ylethoxy)pyridin-2-amine
SMILESCC(Oc1cc(-c2cnc(C3CCN(C)CC3)s2)cnc1N)c1ccncc1
InChIInChI=1S/C21H25N5OS/c1-14(15-3-7-23-8-4-15)27-18-11-17(12-24-20(18)22)19-13-25-21(28-19)16-5-9-26(2)10-6-16/h3-4,7-8,11-14,16H,5-6,9-10H2,1-2H3,(H2,22,24)
InChIKeyZBGQXNOKPJNOFQ-UHFFFAOYSA-N
MW395.53 g/mol
LogP4.13
Rot. Bonds5

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

5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-(1-pyridin-4-ylethoxy)pyridin-2-amine (PubChem CID 159661154) has the molecular formula C21H25N5OS and a molecular weight of 395.53 g/mol. Its IUPAC name is 5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-(1-pyridin-4-ylethoxy)pyridin-2-amine.

Molecular Properties

Compound Name5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-(1-pyridin-4-ylethoxy)pyridin-2-amine
PubChem CID159661154
Molecular FormulaC21H25N5OS
Molecular Weight395.53 g/mol
Exact Mass395.18
IUPAC Name5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-(1-pyridin-4-ylethoxy)pyridin-2-amine
SMILESCC(Oc1cc(-c2cnc(C3CCN(C)CC3)s2)cnc1N)c1ccncc1
InChIInChI=1S/C21H25N5OS/c1-14(15-3-7-23-8-4-15)27-18-11-17(12-24-20(18)22)19-13-25-21(28-19)16-5-9-26(2)10-6-16/h3-4,7-8,11-14,16H,5-6,9-10H2,1-2H3,(H2,22,24)
InChIKeyZBGQXNOKPJNOFQ-UHFFFAOYSA-N
XLogP4.13
TPSA77.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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-(1-pyridin-4-ylethoxy)pyridin-2-amine?
The IUPAC name of 5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-(1-pyridin-4-ylethoxy)pyridin-2-amine (CID 159661154) is 5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-(1-pyridin-4-ylethoxy)pyridin-2-amine.
What is the SMILES notation for 5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-(1-pyridin-4-ylethoxy)pyridin-2-amine?
The canonical SMILES for 5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-(1-pyridin-4-ylethoxy)pyridin-2-amine is CC(Oc1cc(-c2cnc(C3CCN(C)CC3)s2)cnc1N)c1ccncc1.
What is the InChIKey of 5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-(1-pyridin-4-ylethoxy)pyridin-2-amine?
The InChIKey is ZBGQXNOKPJNOFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5OS/c1-14(15-3-7-23-8-4-15)27-18-11-17(12-24-20(18)22)19-13-25-21(28-19)16-5-9-26(2)10-6-16/h3-4,7-8,11-14,16H,5-6,9-10H2,1-2H3,(H2,22,24).
What are the key properties of 5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-(1-pyridin-4-ylethoxy)pyridin-2-amine?
5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-(1-pyridin-4-ylethoxy)pyridin-2-amine has a molecular weight of 395.53 g/mol, XLogP of 4.13, 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-(1-pyridin-4-ylethoxy)pyridin-2-amine is sourced from PubChem (CID 159661154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).