N-(5-piperidin-1-yl-2-pyridinyl)-6-(5-propan-2-yl-1,3-thiazol-2-yl)pyridin-2-amine

C21H25N5S — CID 69235905

IUPACN-(5-piperidin-1-yl-2-pyridinyl)-6-(5-propan-2-yl-1,3-thiazol-2-yl)pyridin-2-amine
SMILESCC(C)c1cnc(-c2cccc(Nc3ccc(N4CCCCC4)cn3)n2)s1
InChIInChI=1S/C21H25N5S/c1-15(2)18-14-23-21(27-18)17-7-6-8-20(24-17)25-19-10-9-16(13-22-19)26-11-4-3-5-12-26/h6-10,13-15H,3-5,11-12H2,1-2H3,(H,22,24,25)
InChIKeyDANYOIZJEHFIIK-UHFFFAOYSA-N
MW379.53 g/mol
LogP5.46
Rot. Bonds5

About N-(5-piperidin-1-yl-2-pyridinyl)-6-(5-propan-2-yl-1,3-thiazol-2-yl)pyridin-2-amine

N-(5-piperidin-1-yl-2-pyridinyl)-6-(5-propan-2-yl-1,3-thiazol-2-yl)pyridin-2-amine (PubChem CID 69235905) has the molecular formula C21H25N5S and a molecular weight of 379.53 g/mol. Its IUPAC name is N-(5-piperidin-1-yl-2-pyridinyl)-6-(5-propan-2-yl-1,3-thiazol-2-yl)pyridin-2-amine.

Molecular Properties

Compound NameN-(5-piperidin-1-yl-2-pyridinyl)-6-(5-propan-2-yl-1,3-thiazol-2-yl)pyridin-2-amine
PubChem CID69235905
Molecular FormulaC21H25N5S
Molecular Weight379.53 g/mol
Exact Mass379.18
IUPAC NameN-(5-piperidin-1-yl-2-pyridinyl)-6-(5-propan-2-yl-1,3-thiazol-2-yl)pyridin-2-amine
SMILESCC(C)c1cnc(-c2cccc(Nc3ccc(N4CCCCC4)cn3)n2)s1
InChIInChI=1S/C21H25N5S/c1-15(2)18-14-23-21(27-18)17-7-6-8-20(24-17)25-19-10-9-16(13-22-19)26-11-4-3-5-12-26/h6-10,13-15H,3-5,11-12H2,1-2H3,(H,22,24,25)
InChIKeyDANYOIZJEHFIIK-UHFFFAOYSA-N
XLogP5.46
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.53
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-piperidin-1-yl-2-pyridinyl)-6-(5-propan-2-yl-1,3-thiazol-2-yl)pyridin-2-amine?
The IUPAC name of N-(5-piperidin-1-yl-2-pyridinyl)-6-(5-propan-2-yl-1,3-thiazol-2-yl)pyridin-2-amine (CID 69235905) is N-(5-piperidin-1-yl-2-pyridinyl)-6-(5-propan-2-yl-1,3-thiazol-2-yl)pyridin-2-amine.
What is the SMILES notation for N-(5-piperidin-1-yl-2-pyridinyl)-6-(5-propan-2-yl-1,3-thiazol-2-yl)pyridin-2-amine?
The canonical SMILES for N-(5-piperidin-1-yl-2-pyridinyl)-6-(5-propan-2-yl-1,3-thiazol-2-yl)pyridin-2-amine is CC(C)c1cnc(-c2cccc(Nc3ccc(N4CCCCC4)cn3)n2)s1.
What is the InChIKey of N-(5-piperidin-1-yl-2-pyridinyl)-6-(5-propan-2-yl-1,3-thiazol-2-yl)pyridin-2-amine?
The InChIKey is DANYOIZJEHFIIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5S/c1-15(2)18-14-23-21(27-18)17-7-6-8-20(24-17)25-19-10-9-16(13-22-19)26-11-4-3-5-12-26/h6-10,13-15H,3-5,11-12H2,1-2H3,(H,22,24,25).
What are the key properties of N-(5-piperidin-1-yl-2-pyridinyl)-6-(5-propan-2-yl-1,3-thiazol-2-yl)pyridin-2-amine?
N-(5-piperidin-1-yl-2-pyridinyl)-6-(5-propan-2-yl-1,3-thiazol-2-yl)pyridin-2-amine has a molecular weight of 379.53 g/mol, XLogP of 5.46, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-piperidin-1-yl-2-pyridinyl)-6-(5-propan-2-yl-1,3-thiazol-2-yl)pyridin-2-amine is sourced from PubChem (CID 69235905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).