2-tert-butyl-5-(piperidin-1-ylmethyl)-1,3-thiazole

C13H22N2S — CID 169075499

IUPAC2-tert-butyl-5-(piperidin-1-ylmethyl)-1,3-thiazole
SMILESCC(C)(C)c1ncc(CN2CCCCC2)s1
InChIInChI=1S/C13H22N2S/c1-13(2,3)12-14-9-11(16-12)10-15-7-5-4-6-8-15/h9H,4-8,10H2,1-3H3
InChIKeyIYZZPKIQISUXPK-UHFFFAOYSA-N
MW238.40 g/mol
LogP3.43
Rot. Bonds2

About 2-tert-butyl-5-(piperidin-1-ylmethyl)-1,3-thiazole

2-tert-butyl-5-(piperidin-1-ylmethyl)-1,3-thiazole (PubChem CID 169075499) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is 2-tert-butyl-5-(piperidin-1-ylmethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-tert-butyl-5-(piperidin-1-ylmethyl)-1,3-thiazole
PubChem CID169075499
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC Name2-tert-butyl-5-(piperidin-1-ylmethyl)-1,3-thiazole
SMILESCC(C)(C)c1ncc(CN2CCCCC2)s1
InChIInChI=1S/C13H22N2S/c1-13(2,3)12-14-9-11(16-12)10-15-7-5-4-6-8-15/h9H,4-8,10H2,1-3H3
InChIKeyIYZZPKIQISUXPK-UHFFFAOYSA-N
XLogP3.43
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-(piperidin-1-ylmethyl)-1,3-thiazole?
The IUPAC name of 2-tert-butyl-5-(piperidin-1-ylmethyl)-1,3-thiazole (CID 169075499) is 2-tert-butyl-5-(piperidin-1-ylmethyl)-1,3-thiazole.
What is the SMILES notation for 2-tert-butyl-5-(piperidin-1-ylmethyl)-1,3-thiazole?
The canonical SMILES for 2-tert-butyl-5-(piperidin-1-ylmethyl)-1,3-thiazole is CC(C)(C)c1ncc(CN2CCCCC2)s1.
What is the InChIKey of 2-tert-butyl-5-(piperidin-1-ylmethyl)-1,3-thiazole?
The InChIKey is IYZZPKIQISUXPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-13(2,3)12-14-9-11(16-12)10-15-7-5-4-6-8-15/h9H,4-8,10H2,1-3H3.
What are the key properties of 2-tert-butyl-5-(piperidin-1-ylmethyl)-1,3-thiazole?
2-tert-butyl-5-(piperidin-1-ylmethyl)-1,3-thiazole has a molecular weight of 238.40 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-(piperidin-1-ylmethyl)-1,3-thiazole is sourced from PubChem (CID 169075499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).