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

C15H27N3OS — CID 62767595

IUPACN-[[2-(3-ethoxypiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCCOC1CCCN(c2nc(C)c(CNC(C)C)s2)C1
InChIInChI=1S/C15H27N3OS/c1-5-19-13-7-6-8-18(10-13)15-17-12(4)14(20-15)9-16-11(2)3/h11,13,16H,5-10H2,1-4H3
InChIKeyOGZSSMPVBZQPEM-UHFFFAOYSA-N
MW297.47 g/mol
LogP2.95
Rot. Bonds6

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

N-[[2-(3-ethoxypiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine (PubChem CID 62767595) has the molecular formula C15H27N3OS and a molecular weight of 297.47 g/mol. Its IUPAC name is N-[[2-(3-ethoxypiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(3-ethoxypiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine
PubChem CID62767595
Molecular FormulaC15H27N3OS
Molecular Weight297.47 g/mol
Exact Mass297.19
IUPAC NameN-[[2-(3-ethoxypiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCCOC1CCCN(c2nc(C)c(CNC(C)C)s2)C1
InChIInChI=1S/C15H27N3OS/c1-5-19-13-7-6-8-18(10-13)15-17-12(4)14(20-15)9-16-11(2)3/h11,13,16H,5-10H2,1-4H3
InChIKeyOGZSSMPVBZQPEM-UHFFFAOYSA-N
XLogP2.95
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.47
LogP ≤ 52.95
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]propan-2-amine?
The IUPAC name of N-[[2-(3-ethoxypiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine (CID 62767595) is N-[[2-(3-ethoxypiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(3-ethoxypiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(3-ethoxypiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine is CCOC1CCCN(c2nc(C)c(CNC(C)C)s2)C1.
What is the InChIKey of N-[[2-(3-ethoxypiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine?
The InChIKey is OGZSSMPVBZQPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3OS/c1-5-19-13-7-6-8-18(10-13)15-17-12(4)14(20-15)9-16-11(2)3/h11,13,16H,5-10H2,1-4H3.
What are the key properties of N-[[2-(3-ethoxypiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine?
N-[[2-(3-ethoxypiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine has a molecular weight of 297.47 g/mol, XLogP of 2.95, 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]propan-2-amine is sourced from PubChem (CID 62767595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).