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

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Related Compounds

2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(thiolan-3-yl)ethanone
CID 105118311
N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119878911
1-[2-(aminomethyl)cyclohexyl]-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanone
CID 116584612
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanone
CID 79819568
3-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperidin-4-ol
CID 114451769
N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119878891
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-cyclopentylsulfanylpropan-2-one
CID 79820106
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanone
CID 79820340
1-(4-tert-butyl-1,3-thiazol-2-yl)-4,4-dimethylpentan-2-one
CID 79820417
1-(4-tert-butyl-1,3-thiazol-2-yl)-5,5,5-trifluoropentan-2-one
CID 79954595
1-(4-tert-butyl-1,3-thiazol-2-yl)-4-methylsulfanylbutan-2-one
CID 105118448
4-amino-1-(4-tert-butyl-1,3-thiazol-2-yl)butan-2-one
CID 116550750

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).