2-(4-tert-butyl-1,3-thiazol-2-yl)-1-piperidin-4-ylethanone

C14H22N2OS — CID 116547629

IUPAC2-(4-tert-butyl-1,3-thiazol-2-yl)-1-piperidin-4-ylethanone
SMILESCC(C)(C)c1csc(CC(=O)C2CCNCC2)n1
InChIInChI=1S/C14H22N2OS/c1-14(2,3)12-9-18-13(16-12)8-11(17)10-4-6-15-7-5-10/h9-10,15H,4-8H2,1-3H3
InChIKeyXMLPQMGMSBQHTC-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.55
Rot. Bonds3

About 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-piperidin-4-ylethanone

2-(4-tert-butyl-1,3-thiazol-2-yl)-1-piperidin-4-ylethanone (PubChem CID 116547629) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-piperidin-4-ylethanone.

Molecular Properties

Compound Name2-(4-tert-butyl-1,3-thiazol-2-yl)-1-piperidin-4-ylethanone
PubChem CID116547629
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name2-(4-tert-butyl-1,3-thiazol-2-yl)-1-piperidin-4-ylethanone
SMILESCC(C)(C)c1csc(CC(=O)C2CCNCC2)n1
InChIInChI=1S/C14H22N2OS/c1-14(2,3)12-9-18-13(16-12)8-11(17)10-4-6-15-7-5-10/h9-10,15H,4-8H2,1-3H3
InChIKeyXMLPQMGMSBQHTC-UHFFFAOYSA-N
XLogP2.55
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-piperidin-4-ylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-piperidin-4-ylethanone?
The IUPAC name of 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-piperidin-4-ylethanone (CID 116547629) is 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-piperidin-4-ylethanone.
What is the SMILES notation for 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-piperidin-4-ylethanone?
The canonical SMILES for 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-piperidin-4-ylethanone is CC(C)(C)c1csc(CC(=O)C2CCNCC2)n1.
What is the InChIKey of 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-piperidin-4-ylethanone?
The InChIKey is XMLPQMGMSBQHTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-14(2,3)12-9-18-13(16-12)8-11(17)10-4-6-15-7-5-10/h9-10,15H,4-8H2,1-3H3.
What are the key properties of 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-piperidin-4-ylethanone?
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-piperidin-4-ylethanone has a molecular weight of 266.41 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-piperidin-4-ylethanone is sourced from PubChem (CID 116547629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).