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

C14H25N3OS — CID 62767424

IUPACN-methyl-1-[4-methyl-2-(3-propoxypiperidin-1-yl)-1,3-thiazol-5-yl]methanamine
SMILESCCCOC1CCCN(c2nc(C)c(CNC)s2)C1
InChIInChI=1S/C14H25N3OS/c1-4-8-18-12-6-5-7-17(10-12)14-16-11(2)13(19-14)9-15-3/h12,15H,4-10H2,1-3H3
InChIKeyZYTOHQYJBMHJNZ-UHFFFAOYSA-N
MW283.44 g/mol
LogP2.57
Rot. Bonds6

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

N-methyl-1-[4-methyl-2-(3-propoxypiperidin-1-yl)-1,3-thiazol-5-yl]methanamine (PubChem CID 62767424) has the molecular formula C14H25N3OS and a molecular weight of 283.44 g/mol. Its IUPAC name is N-methyl-1-[4-methyl-2-(3-propoxypiperidin-1-yl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[4-methyl-2-(3-propoxypiperidin-1-yl)-1,3-thiazol-5-yl]methanamine
PubChem CID62767424
Molecular FormulaC14H25N3OS
Molecular Weight283.44 g/mol
Exact Mass283.17
IUPAC NameN-methyl-1-[4-methyl-2-(3-propoxypiperidin-1-yl)-1,3-thiazol-5-yl]methanamine
SMILESCCCOC1CCCN(c2nc(C)c(CNC)s2)C1
InChIInChI=1S/C14H25N3OS/c1-4-8-18-12-6-5-7-17(10-12)14-16-11(2)13(19-14)9-15-3/h12,15H,4-10H2,1-3H3
InChIKeyZYTOHQYJBMHJNZ-UHFFFAOYSA-N
XLogP2.57
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-methyl-2-(3-propoxypiperidin-1-yl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of N-methyl-1-[4-methyl-2-(3-propoxypiperidin-1-yl)-1,3-thiazol-5-yl]methanamine (CID 62767424) is N-methyl-1-[4-methyl-2-(3-propoxypiperidin-1-yl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for N-methyl-1-[4-methyl-2-(3-propoxypiperidin-1-yl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for N-methyl-1-[4-methyl-2-(3-propoxypiperidin-1-yl)-1,3-thiazol-5-yl]methanamine is CCCOC1CCCN(c2nc(C)c(CNC)s2)C1.
What is the InChIKey of N-methyl-1-[4-methyl-2-(3-propoxypiperidin-1-yl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is ZYTOHQYJBMHJNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3OS/c1-4-8-18-12-6-5-7-17(10-12)14-16-11(2)13(19-14)9-15-3/h12,15H,4-10H2,1-3H3.
What are the key properties of N-methyl-1-[4-methyl-2-(3-propoxypiperidin-1-yl)-1,3-thiazol-5-yl]methanamine?
N-methyl-1-[4-methyl-2-(3-propoxypiperidin-1-yl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 283.44 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-methyl-2-(3-propoxypiperidin-1-yl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 62767424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).