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

C16H29N3S — CID 114597323

IUPAC[4-tert-butyl-2-(2,3,5-trimethylpiperidin-1-yl)-1,3-thiazol-5-yl]methanamine
SMILESCC1CC(C)C(C)N(c2nc(C(C)(C)C)c(CN)s2)C1
InChIInChI=1S/C16H29N3S/c1-10-7-11(2)12(3)19(9-10)15-18-14(16(4,5)6)13(8-17)20-15/h10-12H,7-9,17H2,1-6H3
InChIKeyRCYVEMISPNEAHJ-UHFFFAOYSA-N
MW295.50 g/mol
LogP3.77
Rot. Bonds2

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

[4-tert-butyl-2-(2,3,5-trimethylpiperidin-1-yl)-1,3-thiazol-5-yl]methanamine (PubChem CID 114597323) has the molecular formula C16H29N3S and a molecular weight of 295.50 g/mol. Its IUPAC name is [4-tert-butyl-2-(2,3,5-trimethylpiperidin-1-yl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[4-tert-butyl-2-(2,3,5-trimethylpiperidin-1-yl)-1,3-thiazol-5-yl]methanamine
PubChem CID114597323
Molecular FormulaC16H29N3S
Molecular Weight295.50 g/mol
Exact Mass295.21
IUPAC Name[4-tert-butyl-2-(2,3,5-trimethylpiperidin-1-yl)-1,3-thiazol-5-yl]methanamine
SMILESCC1CC(C)C(C)N(c2nc(C(C)(C)C)c(CN)s2)C1
InChIInChI=1S/C16H29N3S/c1-10-7-11(2)12(3)19(9-10)15-18-14(16(4,5)6)13(8-17)20-15/h10-12H,7-9,17H2,1-6H3
InChIKeyRCYVEMISPNEAHJ-UHFFFAOYSA-N
XLogP3.77
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.50
LogP ≤ 53.77
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-(2,3,5-trimethylpiperidin-1-yl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [4-tert-butyl-2-(2,3,5-trimethylpiperidin-1-yl)-1,3-thiazol-5-yl]methanamine (CID 114597323) is [4-tert-butyl-2-(2,3,5-trimethylpiperidin-1-yl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [4-tert-butyl-2-(2,3,5-trimethylpiperidin-1-yl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [4-tert-butyl-2-(2,3,5-trimethylpiperidin-1-yl)-1,3-thiazol-5-yl]methanamine is CC1CC(C)C(C)N(c2nc(C(C)(C)C)c(CN)s2)C1.
What is the InChIKey of [4-tert-butyl-2-(2,3,5-trimethylpiperidin-1-yl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is RCYVEMISPNEAHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3S/c1-10-7-11(2)12(3)19(9-10)15-18-14(16(4,5)6)13(8-17)20-15/h10-12H,7-9,17H2,1-6H3.
What are the key properties of [4-tert-butyl-2-(2,3,5-trimethylpiperidin-1-yl)-1,3-thiazol-5-yl]methanamine?
[4-tert-butyl-2-(2,3,5-trimethylpiperidin-1-yl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 295.50 g/mol, XLogP of 3.77, 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-(2,3,5-trimethylpiperidin-1-yl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 114597323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).