1-[(2-ethoxy-1,3-thiazol-5-yl)methyl]-N-methylpiperidin-4-amine

C12H21N3OS — CID 122635970

IUPAC1-[(2-ethoxy-1,3-thiazol-5-yl)methyl]-N-methylpiperidin-4-amine
SMILESCCOc1ncc(CN2CCC(NC)CC2)s1
InChIInChI=1S/C12H21N3OS/c1-3-16-12-14-8-11(17-12)9-15-6-4-10(13-2)5-7-15/h8,10,13H,3-7,9H2,1-2H3
InChIKeyGPIJDGXVSOOUGV-UHFFFAOYSA-N
MW255.39 g/mol
LogP1.73
Rot. Bonds5

About 1-[(2-ethoxy-1,3-thiazol-5-yl)methyl]-N-methylpiperidin-4-amine

1-[(2-ethoxy-1,3-thiazol-5-yl)methyl]-N-methylpiperidin-4-amine (PubChem CID 122635970) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is 1-[(2-ethoxy-1,3-thiazol-5-yl)methyl]-N-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-[(2-ethoxy-1,3-thiazol-5-yl)methyl]-N-methylpiperidin-4-amine
PubChem CID122635970
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC Name1-[(2-ethoxy-1,3-thiazol-5-yl)methyl]-N-methylpiperidin-4-amine
SMILESCCOc1ncc(CN2CCC(NC)CC2)s1
InChIInChI=1S/C12H21N3OS/c1-3-16-12-14-8-11(17-12)9-15-6-4-10(13-2)5-7-15/h8,10,13H,3-7,9H2,1-2H3
InChIKeyGPIJDGXVSOOUGV-UHFFFAOYSA-N
XLogP1.73
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethoxy-1,3-thiazol-5-yl)methyl]-N-methylpiperidin-4-amine?
The IUPAC name of 1-[(2-ethoxy-1,3-thiazol-5-yl)methyl]-N-methylpiperidin-4-amine (CID 122635970) is 1-[(2-ethoxy-1,3-thiazol-5-yl)methyl]-N-methylpiperidin-4-amine.
What is the SMILES notation for 1-[(2-ethoxy-1,3-thiazol-5-yl)methyl]-N-methylpiperidin-4-amine?
The canonical SMILES for 1-[(2-ethoxy-1,3-thiazol-5-yl)methyl]-N-methylpiperidin-4-amine is CCOc1ncc(CN2CCC(NC)CC2)s1.
What is the InChIKey of 1-[(2-ethoxy-1,3-thiazol-5-yl)methyl]-N-methylpiperidin-4-amine?
The InChIKey is GPIJDGXVSOOUGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-3-16-12-14-8-11(17-12)9-15-6-4-10(13-2)5-7-15/h8,10,13H,3-7,9H2,1-2H3.
What are the key properties of 1-[(2-ethoxy-1,3-thiazol-5-yl)methyl]-N-methylpiperidin-4-amine?
1-[(2-ethoxy-1,3-thiazol-5-yl)methyl]-N-methylpiperidin-4-amine has a molecular weight of 255.39 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethoxy-1,3-thiazol-5-yl)methyl]-N-methylpiperidin-4-amine is sourced from PubChem (CID 122635970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).