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

C15H27N3S — CID 55117512

IUPAC[4-tert-butyl-2-(2,4-dimethylpiperidin-1-yl)-1,3-thiazol-5-yl]methanamine
SMILESCC1CCN(c2nc(C(C)(C)C)c(CN)s2)C(C)C1
InChIInChI=1S/C15H27N3S/c1-10-6-7-18(11(2)8-10)14-17-13(15(3,4)5)12(9-16)19-14/h10-11H,6-9,16H2,1-5H3
InChIKeyUMUNBQWYECPKNF-UHFFFAOYSA-N
MW281.47 g/mol
LogP3.52
Rot. Bonds2

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

[4-tert-butyl-2-(2,4-dimethylpiperidin-1-yl)-1,3-thiazol-5-yl]methanamine (PubChem CID 55117512) has the molecular formula C15H27N3S and a molecular weight of 281.47 g/mol. Its IUPAC name is [4-tert-butyl-2-(2,4-dimethylpiperidin-1-yl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[4-tert-butyl-2-(2,4-dimethylpiperidin-1-yl)-1,3-thiazol-5-yl]methanamine
PubChem CID55117512
Molecular FormulaC15H27N3S
Molecular Weight281.47 g/mol
Exact Mass281.19
IUPAC Name[4-tert-butyl-2-(2,4-dimethylpiperidin-1-yl)-1,3-thiazol-5-yl]methanamine
SMILESCC1CCN(c2nc(C(C)(C)C)c(CN)s2)C(C)C1
InChIInChI=1S/C15H27N3S/c1-10-6-7-18(11(2)8-10)14-17-13(15(3,4)5)12(9-16)19-14/h10-11H,6-9,16H2,1-5H3
InChIKeyUMUNBQWYECPKNF-UHFFFAOYSA-N
XLogP3.52
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.47
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-tert-butyl-2-(2,4-dimethylpiperidin-1-yl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [4-tert-butyl-2-(2,4-dimethylpiperidin-1-yl)-1,3-thiazol-5-yl]methanamine (CID 55117512) is [4-tert-butyl-2-(2,4-dimethylpiperidin-1-yl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [4-tert-butyl-2-(2,4-dimethylpiperidin-1-yl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [4-tert-butyl-2-(2,4-dimethylpiperidin-1-yl)-1,3-thiazol-5-yl]methanamine is CC1CCN(c2nc(C(C)(C)C)c(CN)s2)C(C)C1.
What is the InChIKey of [4-tert-butyl-2-(2,4-dimethylpiperidin-1-yl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is UMUNBQWYECPKNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3S/c1-10-6-7-18(11(2)8-10)14-17-13(15(3,4)5)12(9-16)19-14/h10-11H,6-9,16H2,1-5H3.
What are the key properties of [4-tert-butyl-2-(2,4-dimethylpiperidin-1-yl)-1,3-thiazol-5-yl]methanamine?
[4-tert-butyl-2-(2,4-dimethylpiperidin-1-yl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 281.47 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-tert-butyl-2-(2,4-dimethylpiperidin-1-yl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 55117512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).