1-[2-(3-ethoxypiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine

C13H23N3OS — CID 62767593

IUPAC1-[2-(3-ethoxypiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCCOC1CCCN(c2nc(C)c(CNC)s2)C1
InChIInChI=1S/C13H23N3OS/c1-4-17-11-6-5-7-16(9-11)13-15-10(2)12(18-13)8-14-3/h11,14H,4-9H2,1-3H3
InChIKeyVMKCCAZCQHZXBU-UHFFFAOYSA-N
MW269.41 g/mol
LogP2.18
Rot. Bonds5

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

1-[2-(3-ethoxypiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine (PubChem CID 62767593) has the molecular formula C13H23N3OS and a molecular weight of 269.41 g/mol. Its IUPAC name is 1-[2-(3-ethoxypiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(3-ethoxypiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine
PubChem CID62767593
Molecular FormulaC13H23N3OS
Molecular Weight269.41 g/mol
Exact Mass269.16
IUPAC Name1-[2-(3-ethoxypiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCCOC1CCCN(c2nc(C)c(CNC)s2)C1
InChIInChI=1S/C13H23N3OS/c1-4-17-11-6-5-7-16(9-11)13-15-10(2)12(18-13)8-14-3/h11,14H,4-9H2,1-3H3
InChIKeyVMKCCAZCQHZXBU-UHFFFAOYSA-N
XLogP2.18
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-ethoxypiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(3-ethoxypiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine (CID 62767593) is 1-[2-(3-ethoxypiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(3-ethoxypiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(3-ethoxypiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine is CCOC1CCCN(c2nc(C)c(CNC)s2)C1.
What is the InChIKey of 1-[2-(3-ethoxypiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine?
The InChIKey is VMKCCAZCQHZXBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3OS/c1-4-17-11-6-5-7-16(9-11)13-15-10(2)12(18-13)8-14-3/h11,14H,4-9H2,1-3H3.
What are the key properties of 1-[2-(3-ethoxypiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine?
1-[2-(3-ethoxypiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine has a molecular weight of 269.41 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-ethoxypiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine is sourced from PubChem (CID 62767593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).