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

C15H27N3OS — CID 62754074

IUPACN-[[2-(4-ethoxypiperidin-1-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
SMILESCCOC1CCN(c2ncc(CNCC(C)C)s2)CC1
InChIInChI=1S/C15H27N3OS/c1-4-19-13-5-7-18(8-6-13)15-17-11-14(20-15)10-16-9-12(2)3/h11-13,16H,4-10H2,1-3H3
InChIKeyXSTNUVHIKIHVSW-UHFFFAOYSA-N
MW297.47 g/mol
LogP2.89
Rot. Bonds7

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

N-[[2-(4-ethoxypiperidin-1-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine (PubChem CID 62754074) has the molecular formula C15H27N3OS and a molecular weight of 297.47 g/mol. Its IUPAC name is N-[[2-(4-ethoxypiperidin-1-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-(4-ethoxypiperidin-1-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
PubChem CID62754074
Molecular FormulaC15H27N3OS
Molecular Weight297.47 g/mol
Exact Mass297.19
IUPAC NameN-[[2-(4-ethoxypiperidin-1-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
SMILESCCOC1CCN(c2ncc(CNCC(C)C)s2)CC1
InChIInChI=1S/C15H27N3OS/c1-4-19-13-5-7-18(8-6-13)15-17-11-14(20-15)10-16-9-12(2)3/h11-13,16H,4-10H2,1-3H3
InChIKeyXSTNUVHIKIHVSW-UHFFFAOYSA-N
XLogP2.89
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.47
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-ethoxypiperidin-1-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[2-(4-ethoxypiperidin-1-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine (CID 62754074) is N-[[2-(4-ethoxypiperidin-1-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[2-(4-ethoxypiperidin-1-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-(4-ethoxypiperidin-1-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine is CCOC1CCN(c2ncc(CNCC(C)C)s2)CC1.
What is the InChIKey of N-[[2-(4-ethoxypiperidin-1-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is XSTNUVHIKIHVSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3OS/c1-4-19-13-5-7-18(8-6-13)15-17-11-14(20-15)10-16-9-12(2)3/h11-13,16H,4-10H2,1-3H3.
What are the key properties of N-[[2-(4-ethoxypiperidin-1-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine?
N-[[2-(4-ethoxypiperidin-1-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 297.47 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-ethoxypiperidin-1-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 62754074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).