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

C22H27N5OS — CID 159064784

IUPAC5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-(2-pyridin-4-ylpropan-2-yloxy)pyridin-2-amine
SMILESCN1CCC(c2ncc(-c3cnc(N)c(OC(C)(C)c4ccncc4)c3)s2)CC1
InChIInChI=1S/C22H27N5OS/c1-22(2,17-4-8-24-9-5-17)28-18-12-16(13-25-20(18)23)19-14-26-21(29-19)15-6-10-27(3)11-7-15/h4-5,8-9,12-15H,6-7,10-11H2,1-3H3,(H2,23,25)
InChIKeyZNKCFDCZEXXZLC-UHFFFAOYSA-N
MW409.56 g/mol
LogP4.31
Rot. Bonds5

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

5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-(2-pyridin-4-ylpropan-2-yloxy)pyridin-2-amine (PubChem CID 159064784) has the molecular formula C22H27N5OS and a molecular weight of 409.56 g/mol. Its IUPAC name is 5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-(2-pyridin-4-ylpropan-2-yloxy)pyridin-2-amine.

Molecular Properties

Compound Name5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-(2-pyridin-4-ylpropan-2-yloxy)pyridin-2-amine
PubChem CID159064784
Molecular FormulaC22H27N5OS
Molecular Weight409.56 g/mol
Exact Mass409.19
IUPAC Name5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-(2-pyridin-4-ylpropan-2-yloxy)pyridin-2-amine
SMILESCN1CCC(c2ncc(-c3cnc(N)c(OC(C)(C)c4ccncc4)c3)s2)CC1
InChIInChI=1S/C22H27N5OS/c1-22(2,17-4-8-24-9-5-17)28-18-12-16(13-25-20(18)23)19-14-26-21(29-19)15-6-10-27(3)11-7-15/h4-5,8-9,12-15H,6-7,10-11H2,1-3H3,(H2,23,25)
InChIKeyZNKCFDCZEXXZLC-UHFFFAOYSA-N
XLogP4.31
TPSA77.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.56
LogP ≤ 54.31
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-(2-pyridin-4-ylpropan-2-yloxy)pyridin-2-amine?
The IUPAC name of 5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-(2-pyridin-4-ylpropan-2-yloxy)pyridin-2-amine (CID 159064784) is 5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-(2-pyridin-4-ylpropan-2-yloxy)pyridin-2-amine.
What is the SMILES notation for 5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-(2-pyridin-4-ylpropan-2-yloxy)pyridin-2-amine?
The canonical SMILES for 5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-(2-pyridin-4-ylpropan-2-yloxy)pyridin-2-amine is CN1CCC(c2ncc(-c3cnc(N)c(OC(C)(C)c4ccncc4)c3)s2)CC1.
What is the InChIKey of 5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-(2-pyridin-4-ylpropan-2-yloxy)pyridin-2-amine?
The InChIKey is ZNKCFDCZEXXZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5OS/c1-22(2,17-4-8-24-9-5-17)28-18-12-16(13-25-20(18)23)19-14-26-21(29-19)15-6-10-27(3)11-7-15/h4-5,8-9,12-15H,6-7,10-11H2,1-3H3,(H2,23,25).
What are the key properties of 5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-(2-pyridin-4-ylpropan-2-yloxy)pyridin-2-amine?
5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-(2-pyridin-4-ylpropan-2-yloxy)pyridin-2-amine has a molecular weight of 409.56 g/mol, XLogP of 4.31, 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-(2-pyridin-4-ylpropan-2-yloxy)pyridin-2-amine is sourced from PubChem (CID 159064784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).