2-tert-butyl-5-piperidin-1-yl-1,3-thiazole

C12H20N2S — CID 59019253

IUPAC2-tert-butyl-5-piperidin-1-yl-1,3-thiazole
SMILESCC(C)(C)c1ncc(N2CCCCC2)s1
InChIInChI=1S/C12H20N2S/c1-12(2,3)11-13-9-10(15-11)14-7-5-4-6-8-14/h9H,4-8H2,1-3H3
InChIKeyBTMDNMNKHQSTMY-UHFFFAOYSA-N
MW224.37 g/mol
LogP3.43
Rot. Bonds1

About 2-tert-butyl-5-piperidin-1-yl-1,3-thiazole

2-tert-butyl-5-piperidin-1-yl-1,3-thiazole (PubChem CID 59019253) has the molecular formula C12H20N2S and a molecular weight of 224.37 g/mol. Its IUPAC name is 2-tert-butyl-5-piperidin-1-yl-1,3-thiazole.

Molecular Properties

Compound Name2-tert-butyl-5-piperidin-1-yl-1,3-thiazole
PubChem CID59019253
Molecular FormulaC12H20N2S
Molecular Weight224.37 g/mol
Exact Mass224.13
IUPAC Name2-tert-butyl-5-piperidin-1-yl-1,3-thiazole
SMILESCC(C)(C)c1ncc(N2CCCCC2)s1
InChIInChI=1S/C12H20N2S/c1-12(2,3)11-13-9-10(15-11)14-7-5-4-6-8-14/h9H,4-8H2,1-3H3
InChIKeyBTMDNMNKHQSTMY-UHFFFAOYSA-N
XLogP3.43
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
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-yl-1,3-thiazole?
The IUPAC name of 2-tert-butyl-5-piperidin-1-yl-1,3-thiazole (CID 59019253) is 2-tert-butyl-5-piperidin-1-yl-1,3-thiazole.
What is the SMILES notation for 2-tert-butyl-5-piperidin-1-yl-1,3-thiazole?
The canonical SMILES for 2-tert-butyl-5-piperidin-1-yl-1,3-thiazole is CC(C)(C)c1ncc(N2CCCCC2)s1.
What is the InChIKey of 2-tert-butyl-5-piperidin-1-yl-1,3-thiazole?
The InChIKey is BTMDNMNKHQSTMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S/c1-12(2,3)11-13-9-10(15-11)14-7-5-4-6-8-14/h9H,4-8H2,1-3H3.
What are the key properties of 2-tert-butyl-5-piperidin-1-yl-1,3-thiazole?
2-tert-butyl-5-piperidin-1-yl-1,3-thiazole has a molecular weight of 224.37 g/mol, XLogP of 3.43, 1 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-yl-1,3-thiazole is sourced from PubChem (CID 59019253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).