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

C14H25N3OS — CID 64544374

IUPACN-methyl-1-[2-(3-propoxypiperidin-1-yl)-1,3-thiazol-4-yl]ethanamine
SMILESCCCOC1CCCN(c2nc(C(C)NC)cs2)C1
InChIInChI=1S/C14H25N3OS/c1-4-8-18-12-6-5-7-17(9-12)14-16-13(10-19-14)11(2)15-3/h10-12,15H,4-9H2,1-3H3
InChIKeyVQDKCEHHLPZWLX-UHFFFAOYSA-N
MW283.44 g/mol
LogP2.82
Rot. Bonds6

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

N-methyl-1-[2-(3-propoxypiperidin-1-yl)-1,3-thiazol-4-yl]ethanamine (PubChem CID 64544374) has the molecular formula C14H25N3OS and a molecular weight of 283.44 g/mol. Its IUPAC name is N-methyl-1-[2-(3-propoxypiperidin-1-yl)-1,3-thiazol-4-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[2-(3-propoxypiperidin-1-yl)-1,3-thiazol-4-yl]ethanamine
PubChem CID64544374
Molecular FormulaC14H25N3OS
Molecular Weight283.44 g/mol
Exact Mass283.17
IUPAC NameN-methyl-1-[2-(3-propoxypiperidin-1-yl)-1,3-thiazol-4-yl]ethanamine
SMILESCCCOC1CCCN(c2nc(C(C)NC)cs2)C1
InChIInChI=1S/C14H25N3OS/c1-4-8-18-12-6-5-7-17(9-12)14-16-13(10-19-14)11(2)15-3/h10-12,15H,4-9H2,1-3H3
InChIKeyVQDKCEHHLPZWLX-UHFFFAOYSA-N
XLogP2.82
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 ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(3-propoxypiperidin-1-yl)-1,3-thiazol-4-yl]ethanamine?
The IUPAC name of N-methyl-1-[2-(3-propoxypiperidin-1-yl)-1,3-thiazol-4-yl]ethanamine (CID 64544374) is N-methyl-1-[2-(3-propoxypiperidin-1-yl)-1,3-thiazol-4-yl]ethanamine.
What is the SMILES notation for N-methyl-1-[2-(3-propoxypiperidin-1-yl)-1,3-thiazol-4-yl]ethanamine?
The canonical SMILES for N-methyl-1-[2-(3-propoxypiperidin-1-yl)-1,3-thiazol-4-yl]ethanamine is CCCOC1CCCN(c2nc(C(C)NC)cs2)C1.
What is the InChIKey of N-methyl-1-[2-(3-propoxypiperidin-1-yl)-1,3-thiazol-4-yl]ethanamine?
The InChIKey is VQDKCEHHLPZWLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3OS/c1-4-8-18-12-6-5-7-17(9-12)14-16-13(10-19-14)11(2)15-3/h10-12,15H,4-9H2,1-3H3.
What are the key properties of N-methyl-1-[2-(3-propoxypiperidin-1-yl)-1,3-thiazol-4-yl]ethanamine?
N-methyl-1-[2-(3-propoxypiperidin-1-yl)-1,3-thiazol-4-yl]ethanamine has a molecular weight of 283.44 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(3-propoxypiperidin-1-yl)-1,3-thiazol-4-yl]ethanamine is sourced from PubChem (CID 64544374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).