4-(1-methylpiperidin-4-yl)oxy-6-N-(5-methyl-1,3-thiazol-2-yl)pyridine-2,6-diamine

C15H21N5OS — CID 146438298

IUPAC4-(1-methylpiperidin-4-yl)oxy-6-N-(5-methyl-1,3-thiazol-2-yl)pyridine-2,6-diamine
SMILESCc1cnc(Nc2cc(OC3CCN(C)CC3)cc(N)n2)s1
InChIInChI=1S/C15H21N5OS/c1-10-9-17-15(22-10)19-14-8-12(7-13(16)18-14)21-11-3-5-20(2)6-4-11/h7-9,11H,3-6H2,1-2H3,(H3,16,17,18,19)
InChIKeyXDEJYLCTLIODKU-UHFFFAOYSA-N
MW319.43 g/mol
LogP2.65
Rot. Bonds4

About 4-(1-methylpiperidin-4-yl)oxy-6-N-(5-methyl-1,3-thiazol-2-yl)pyridine-2,6-diamine

4-(1-methylpiperidin-4-yl)oxy-6-N-(5-methyl-1,3-thiazol-2-yl)pyridine-2,6-diamine (PubChem CID 146438298) has the molecular formula C15H21N5OS and a molecular weight of 319.43 g/mol. Its IUPAC name is 4-(1-methylpiperidin-4-yl)oxy-6-N-(5-methyl-1,3-thiazol-2-yl)pyridine-2,6-diamine.

Molecular Properties

Compound Name4-(1-methylpiperidin-4-yl)oxy-6-N-(5-methyl-1,3-thiazol-2-yl)pyridine-2,6-diamine
PubChem CID146438298
Molecular FormulaC15H21N5OS
Molecular Weight319.43 g/mol
Exact Mass319.15
IUPAC Name4-(1-methylpiperidin-4-yl)oxy-6-N-(5-methyl-1,3-thiazol-2-yl)pyridine-2,6-diamine
SMILESCc1cnc(Nc2cc(OC3CCN(C)CC3)cc(N)n2)s1
InChIInChI=1S/C15H21N5OS/c1-10-9-17-15(22-10)19-14-8-12(7-13(16)18-14)21-11-3-5-20(2)6-4-11/h7-9,11H,3-6H2,1-2H3,(H3,16,17,18,19)
InChIKeyXDEJYLCTLIODKU-UHFFFAOYSA-N
XLogP2.65
TPSA76.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methylpiperidin-4-yl)oxy-6-N-(5-methyl-1,3-thiazol-2-yl)pyridine-2,6-diamine?
The IUPAC name of 4-(1-methylpiperidin-4-yl)oxy-6-N-(5-methyl-1,3-thiazol-2-yl)pyridine-2,6-diamine (CID 146438298) is 4-(1-methylpiperidin-4-yl)oxy-6-N-(5-methyl-1,3-thiazol-2-yl)pyridine-2,6-diamine.
What is the SMILES notation for 4-(1-methylpiperidin-4-yl)oxy-6-N-(5-methyl-1,3-thiazol-2-yl)pyridine-2,6-diamine?
The canonical SMILES for 4-(1-methylpiperidin-4-yl)oxy-6-N-(5-methyl-1,3-thiazol-2-yl)pyridine-2,6-diamine is Cc1cnc(Nc2cc(OC3CCN(C)CC3)cc(N)n2)s1.
What is the InChIKey of 4-(1-methylpiperidin-4-yl)oxy-6-N-(5-methyl-1,3-thiazol-2-yl)pyridine-2,6-diamine?
The InChIKey is XDEJYLCTLIODKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5OS/c1-10-9-17-15(22-10)19-14-8-12(7-13(16)18-14)21-11-3-5-20(2)6-4-11/h7-9,11H,3-6H2,1-2H3,(H3,16,17,18,19).
What are the key properties of 4-(1-methylpiperidin-4-yl)oxy-6-N-(5-methyl-1,3-thiazol-2-yl)pyridine-2,6-diamine?
4-(1-methylpiperidin-4-yl)oxy-6-N-(5-methyl-1,3-thiazol-2-yl)pyridine-2,6-diamine has a molecular weight of 319.43 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylpiperidin-4-yl)oxy-6-N-(5-methyl-1,3-thiazol-2-yl)pyridine-2,6-diamine is sourced from PubChem (CID 146438298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).