[4-tert-butyl-2-(4-methoxypiperidin-1-yl)-1,3-thiazol-5-yl]methanamine

C14H25N3OS — CID 55117839

IUPAC[4-tert-butyl-2-(4-methoxypiperidin-1-yl)-1,3-thiazol-5-yl]methanamine
SMILESCOC1CCN(c2nc(C(C)(C)C)c(CN)s2)CC1
InChIInChI=1S/C14H25N3OS/c1-14(2,3)12-11(9-15)19-13(16-12)17-7-5-10(18-4)6-8-17/h10H,5-9,15H2,1-4H3
InChIKeyFIFFBUDUVVLOMJ-UHFFFAOYSA-N
MW283.44 g/mol
LogP2.51
Rot. Bonds3

About [4-tert-butyl-2-(4-methoxypiperidin-1-yl)-1,3-thiazol-5-yl]methanamine

[4-tert-butyl-2-(4-methoxypiperidin-1-yl)-1,3-thiazol-5-yl]methanamine (PubChem CID 55117839) has the molecular formula C14H25N3OS and a molecular weight of 283.44 g/mol. Its IUPAC name is [4-tert-butyl-2-(4-methoxypiperidin-1-yl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[4-tert-butyl-2-(4-methoxypiperidin-1-yl)-1,3-thiazol-5-yl]methanamine
PubChem CID55117839
Molecular FormulaC14H25N3OS
Molecular Weight283.44 g/mol
Exact Mass283.17
IUPAC Name[4-tert-butyl-2-(4-methoxypiperidin-1-yl)-1,3-thiazol-5-yl]methanamine
SMILESCOC1CCN(c2nc(C(C)(C)C)c(CN)s2)CC1
InChIInChI=1S/C14H25N3OS/c1-14(2,3)12-11(9-15)19-13(16-12)17-7-5-10(18-4)6-8-17/h10H,5-9,15H2,1-4H3
InChIKeyFIFFBUDUVVLOMJ-UHFFFAOYSA-N
XLogP2.51
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-tert-butyl-2-(4-methoxypiperidin-1-yl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [4-tert-butyl-2-(4-methoxypiperidin-1-yl)-1,3-thiazol-5-yl]methanamine (CID 55117839) is [4-tert-butyl-2-(4-methoxypiperidin-1-yl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [4-tert-butyl-2-(4-methoxypiperidin-1-yl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [4-tert-butyl-2-(4-methoxypiperidin-1-yl)-1,3-thiazol-5-yl]methanamine is COC1CCN(c2nc(C(C)(C)C)c(CN)s2)CC1.
What is the InChIKey of [4-tert-butyl-2-(4-methoxypiperidin-1-yl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is FIFFBUDUVVLOMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3OS/c1-14(2,3)12-11(9-15)19-13(16-12)17-7-5-10(18-4)6-8-17/h10H,5-9,15H2,1-4H3.
What are the key properties of [4-tert-butyl-2-(4-methoxypiperidin-1-yl)-1,3-thiazol-5-yl]methanamine?
[4-tert-butyl-2-(4-methoxypiperidin-1-yl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 283.44 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-tert-butyl-2-(4-methoxypiperidin-1-yl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 55117839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).