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

C14H25N3OS — CID 62769335

IUPAC[4-ethyl-2-(3-propoxypiperidin-1-yl)-1,3-thiazol-5-yl]methanamine
SMILESCCCOC1CCCN(c2nc(CC)c(CN)s2)C1
InChIInChI=1S/C14H25N3OS/c1-3-8-18-11-6-5-7-17(10-11)14-16-12(4-2)13(9-15)19-14/h11H,3-10,15H2,1-2H3
InChIKeyYHARIIPTEVPGGQ-UHFFFAOYSA-N
MW283.44 g/mol
LogP2.56
Rot. Bonds6

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

[4-ethyl-2-(3-propoxypiperidin-1-yl)-1,3-thiazol-5-yl]methanamine (PubChem CID 62769335) has the molecular formula C14H25N3OS and a molecular weight of 283.44 g/mol. Its IUPAC name is [4-ethyl-2-(3-propoxypiperidin-1-yl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[4-ethyl-2-(3-propoxypiperidin-1-yl)-1,3-thiazol-5-yl]methanamine
PubChem CID62769335
Molecular FormulaC14H25N3OS
Molecular Weight283.44 g/mol
Exact Mass283.17
IUPAC Name[4-ethyl-2-(3-propoxypiperidin-1-yl)-1,3-thiazol-5-yl]methanamine
SMILESCCCOC1CCCN(c2nc(CC)c(CN)s2)C1
InChIInChI=1S/C14H25N3OS/c1-3-8-18-11-6-5-7-17(10-11)14-16-12(4-2)13(9-15)19-14/h11H,3-10,15H2,1-2H3
InChIKeyYHARIIPTEVPGGQ-UHFFFAOYSA-N
XLogP2.56
TPSA51.38 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 ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-ethyl-2-(3-propoxypiperidin-1-yl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [4-ethyl-2-(3-propoxypiperidin-1-yl)-1,3-thiazol-5-yl]methanamine (CID 62769335) is [4-ethyl-2-(3-propoxypiperidin-1-yl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [4-ethyl-2-(3-propoxypiperidin-1-yl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [4-ethyl-2-(3-propoxypiperidin-1-yl)-1,3-thiazol-5-yl]methanamine is CCCOC1CCCN(c2nc(CC)c(CN)s2)C1.
What is the InChIKey of [4-ethyl-2-(3-propoxypiperidin-1-yl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is YHARIIPTEVPGGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3OS/c1-3-8-18-11-6-5-7-17(10-11)14-16-12(4-2)13(9-15)19-14/h11H,3-10,15H2,1-2H3.
What are the key properties of [4-ethyl-2-(3-propoxypiperidin-1-yl)-1,3-thiazol-5-yl]methanamine?
[4-ethyl-2-(3-propoxypiperidin-1-yl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 283.44 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-ethyl-2-(3-propoxypiperidin-1-yl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 62769335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).