1-[2-(4-methoxypiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine

C13H23N3OS — CID 62750101

IUPAC1-[2-(4-methoxypiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine
SMILESCNC(C)c1sc(N2CCC(OC)CC2)nc1C
InChIInChI=1S/C13H23N3OS/c1-9(14-3)12-10(2)15-13(18-12)16-7-5-11(17-4)6-8-16/h9,11,14H,5-8H2,1-4H3
InChIKeyMZLVLOGTGQSQAS-UHFFFAOYSA-N
MW269.41 g/mol
LogP2.35
Rot. Bonds4

About 1-[2-(4-methoxypiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine

1-[2-(4-methoxypiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine (PubChem CID 62750101) has the molecular formula C13H23N3OS and a molecular weight of 269.41 g/mol. Its IUPAC name is 1-[2-(4-methoxypiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[2-(4-methoxypiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine
PubChem CID62750101
Molecular FormulaC13H23N3OS
Molecular Weight269.41 g/mol
Exact Mass269.16
IUPAC Name1-[2-(4-methoxypiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine
SMILESCNC(C)c1sc(N2CCC(OC)CC2)nc1C
InChIInChI=1S/C13H23N3OS/c1-9(14-3)12-10(2)15-13(18-12)16-7-5-11(17-4)6-8-16/h9,11,14H,5-8H2,1-4H3
InChIKeyMZLVLOGTGQSQAS-UHFFFAOYSA-N
XLogP2.35
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxypiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine?
The IUPAC name of 1-[2-(4-methoxypiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine (CID 62750101) is 1-[2-(4-methoxypiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine.
What is the SMILES notation for 1-[2-(4-methoxypiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine?
The canonical SMILES for 1-[2-(4-methoxypiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine is CNC(C)c1sc(N2CCC(OC)CC2)nc1C.
What is the InChIKey of 1-[2-(4-methoxypiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine?
The InChIKey is MZLVLOGTGQSQAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3OS/c1-9(14-3)12-10(2)15-13(18-12)16-7-5-11(17-4)6-8-16/h9,11,14H,5-8H2,1-4H3.
What are the key properties of 1-[2-(4-methoxypiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine?
1-[2-(4-methoxypiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine has a molecular weight of 269.41 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxypiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine is sourced from PubChem (CID 62750101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).