4-tert-butyl-2-(3,5-dimethylpiperidin-1-yl)-1,3-thiazole-5-carbaldehyde

C15H24N2OS — CID 62765410

IUPAC4-tert-butyl-2-(3,5-dimethylpiperidin-1-yl)-1,3-thiazole-5-carbaldehyde
SMILESCC1CC(C)CN(c2nc(C(C)(C)C)c(C=O)s2)C1
InChIInChI=1S/C15H24N2OS/c1-10-6-11(2)8-17(7-10)14-16-13(15(3,4)5)12(9-18)19-14/h9-11H,6-8H2,1-5H3
InChIKeyJGFHGQUHMWKWQD-UHFFFAOYSA-N
MW280.44 g/mol
LogP3.74
Rot. Bonds2

About 4-tert-butyl-2-(3,5-dimethylpiperidin-1-yl)-1,3-thiazole-5-carbaldehyde

4-tert-butyl-2-(3,5-dimethylpiperidin-1-yl)-1,3-thiazole-5-carbaldehyde (PubChem CID 62765410) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is 4-tert-butyl-2-(3,5-dimethylpiperidin-1-yl)-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name4-tert-butyl-2-(3,5-dimethylpiperidin-1-yl)-1,3-thiazole-5-carbaldehyde
PubChem CID62765410
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC Name4-tert-butyl-2-(3,5-dimethylpiperidin-1-yl)-1,3-thiazole-5-carbaldehyde
SMILESCC1CC(C)CN(c2nc(C(C)(C)C)c(C=O)s2)C1
InChIInChI=1S/C15H24N2OS/c1-10-6-11(2)8-17(7-10)14-16-13(15(3,4)5)12(9-18)19-14/h9-11H,6-8H2,1-5H3
InChIKeyJGFHGQUHMWKWQD-UHFFFAOYSA-N
XLogP3.74
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-(3,5-dimethylpiperidin-1-yl)-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 4-tert-butyl-2-(3,5-dimethylpiperidin-1-yl)-1,3-thiazole-5-carbaldehyde (CID 62765410) is 4-tert-butyl-2-(3,5-dimethylpiperidin-1-yl)-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 4-tert-butyl-2-(3,5-dimethylpiperidin-1-yl)-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 4-tert-butyl-2-(3,5-dimethylpiperidin-1-yl)-1,3-thiazole-5-carbaldehyde is CC1CC(C)CN(c2nc(C(C)(C)C)c(C=O)s2)C1.
What is the InChIKey of 4-tert-butyl-2-(3,5-dimethylpiperidin-1-yl)-1,3-thiazole-5-carbaldehyde?
The InChIKey is JGFHGQUHMWKWQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-10-6-11(2)8-17(7-10)14-16-13(15(3,4)5)12(9-18)19-14/h9-11H,6-8H2,1-5H3.
What are the key properties of 4-tert-butyl-2-(3,5-dimethylpiperidin-1-yl)-1,3-thiazole-5-carbaldehyde?
4-tert-butyl-2-(3,5-dimethylpiperidin-1-yl)-1,3-thiazole-5-carbaldehyde has a molecular weight of 280.44 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-(3,5-dimethylpiperidin-1-yl)-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 62765410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).