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

C15H25N3OS — CID 62767596

IUPACN-[[2-(3-ethoxypiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
SMILESCCOC1CCCN(c2nc(C)c(CNC3CC3)s2)C1
InChIInChI=1S/C15H25N3OS/c1-3-19-13-5-4-8-18(10-13)15-17-11(2)14(20-15)9-16-12-6-7-12/h12-13,16H,3-10H2,1-2H3
InChIKeyDIWDSWSPKPAPQA-UHFFFAOYSA-N
MW295.45 g/mol
LogP2.71
Rot. Bonds6

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

N-[[2-(3-ethoxypiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine (PubChem CID 62767596) has the molecular formula C15H25N3OS and a molecular weight of 295.45 g/mol. Its IUPAC name is N-[[2-(3-ethoxypiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(3-ethoxypiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
PubChem CID62767596
Molecular FormulaC15H25N3OS
Molecular Weight295.45 g/mol
Exact Mass295.17
IUPAC NameN-[[2-(3-ethoxypiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
SMILESCCOC1CCCN(c2nc(C)c(CNC3CC3)s2)C1
InChIInChI=1S/C15H25N3OS/c1-3-19-13-5-4-8-18(10-13)15-17-11(2)14(20-15)9-16-12-6-7-12/h12-13,16H,3-10H2,1-2H3
InChIKeyDIWDSWSPKPAPQA-UHFFFAOYSA-N
XLogP2.71
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-ethoxypiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(3-ethoxypiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine (CID 62767596) is N-[[2-(3-ethoxypiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(3-ethoxypiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(3-ethoxypiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine is CCOC1CCCN(c2nc(C)c(CNC3CC3)s2)C1.
What is the InChIKey of N-[[2-(3-ethoxypiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The InChIKey is DIWDSWSPKPAPQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3OS/c1-3-19-13-5-4-8-18(10-13)15-17-11(2)14(20-15)9-16-12-6-7-12/h12-13,16H,3-10H2,1-2H3.
What are the key properties of N-[[2-(3-ethoxypiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine?
N-[[2-(3-ethoxypiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine has a molecular weight of 295.45 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-ethoxypiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62767596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).