N-[[4-methyl-2-(3-propoxypiperidin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine

C15H27N3OS — CID 62767425

IUPACN-[[4-methyl-2-(3-propoxypiperidin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCCOC1CCCN(c2nc(C)c(CNCC)s2)C1
InChIInChI=1S/C15H27N3OS/c1-4-9-19-13-7-6-8-18(11-13)15-17-12(3)14(20-15)10-16-5-2/h13,16H,4-11H2,1-3H3
InChIKeyMZSBRXZHDYROGO-UHFFFAOYSA-N
MW297.47 g/mol
LogP2.96
Rot. Bonds7

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

N-[[4-methyl-2-(3-propoxypiperidin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine (PubChem CID 62767425) has the molecular formula C15H27N3OS and a molecular weight of 297.47 g/mol. Its IUPAC name is N-[[4-methyl-2-(3-propoxypiperidin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-methyl-2-(3-propoxypiperidin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine
PubChem CID62767425
Molecular FormulaC15H27N3OS
Molecular Weight297.47 g/mol
Exact Mass297.19
IUPAC NameN-[[4-methyl-2-(3-propoxypiperidin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCCOC1CCCN(c2nc(C)c(CNCC)s2)C1
InChIInChI=1S/C15H27N3OS/c1-4-9-19-13-7-6-8-18(11-13)15-17-12(3)14(20-15)10-16-5-2/h13,16H,4-11H2,1-3H3
InChIKeyMZSBRXZHDYROGO-UHFFFAOYSA-N
XLogP2.96
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 ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[4-methyl-2-(3-propoxypiperidin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[4-methyl-2-(3-propoxypiperidin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine (CID 62767425) is N-[[4-methyl-2-(3-propoxypiperidin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[4-methyl-2-(3-propoxypiperidin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[4-methyl-2-(3-propoxypiperidin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine is CCCOC1CCCN(c2nc(C)c(CNCC)s2)C1.
What is the InChIKey of N-[[4-methyl-2-(3-propoxypiperidin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine?
The InChIKey is MZSBRXZHDYROGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3OS/c1-4-9-19-13-7-6-8-18(11-13)15-17-12(3)14(20-15)10-16-5-2/h13,16H,4-11H2,1-3H3.
What are the key properties of N-[[4-methyl-2-(3-propoxypiperidin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine?
N-[[4-methyl-2-(3-propoxypiperidin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine has a molecular weight of 297.47 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methyl-2-(3-propoxypiperidin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 62767425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).