2-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-1-piperidin-1-ylpropan-1-one

C16H27N3OS — CID 115592259

IUPAC2-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-1-piperidin-1-ylpropan-1-one
SMILESCC(NCc1csc(C(C)(C)C)n1)C(=O)N1CCCCC1
InChIInChI=1S/C16H27N3OS/c1-12(14(20)19-8-6-5-7-9-19)17-10-13-11-21-15(18-13)16(2,3)4/h11-12,17H,5-10H2,1-4H3
InChIKeyXAJSWHJQNKTMLA-UHFFFAOYSA-N
MW309.48 g/mol
LogP2.93
Rot. Bonds4

About 2-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-1-piperidin-1-ylpropan-1-one

2-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-1-piperidin-1-ylpropan-1-one (PubChem CID 115592259) has the molecular formula C16H27N3OS and a molecular weight of 309.48 g/mol. Its IUPAC name is 2-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-1-piperidin-1-ylpropan-1-one
PubChem CID115592259
Molecular FormulaC16H27N3OS
Molecular Weight309.48 g/mol
Exact Mass309.19
IUPAC Name2-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-1-piperidin-1-ylpropan-1-one
SMILESCC(NCc1csc(C(C)(C)C)n1)C(=O)N1CCCCC1
InChIInChI=1S/C16H27N3OS/c1-12(14(20)19-8-6-5-7-9-19)17-10-13-11-21-15(18-13)16(2,3)4/h11-12,17H,5-10H2,1-4H3
InChIKeyXAJSWHJQNKTMLA-UHFFFAOYSA-N
XLogP2.93
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.48
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-1-piperidin-1-ylethanone
CID 115586605
(2R)-2-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-4-methylpentanoic acid
CID 120511468
1-(azepan-1-yl)-2-(1,3-thiazol-5-ylmethylamino)propan-1-one
CID 104589380
(1R)-N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-cyclohexylethanamine
CID 104862931
1-piperidin-1-yl-2-(pyrazin-2-ylmethylamino)propan-1-one
CID 62761838
2-[(4-bromothiophen-2-yl)methylamino]-1-piperidin-1-ylpropan-1-one
CID 54866286
2-[(5-bromothiophen-3-yl)methylamino]-1-piperidin-1-ylpropan-1-one
CID 54866261
3-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]butan-1-ol
CID 111436836
2-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-N-methylacetamide
CID 47285247
5-[[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]methyl]thiophene-3-carboxamide
CID 79614623
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-4-methylpentan-2-amine
CID 115715580
2-(pyridazin-3-ylmethylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 106832007

Frequently Asked Questions

What is the IUPAC name of 2-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 2-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-1-piperidin-1-ylpropan-1-one (CID 115592259) is 2-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 2-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 2-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-1-piperidin-1-ylpropan-1-one is CC(NCc1csc(C(C)(C)C)n1)C(=O)N1CCCCC1.
What is the InChIKey of 2-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-1-piperidin-1-ylpropan-1-one?
The InChIKey is XAJSWHJQNKTMLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3OS/c1-12(14(20)19-8-6-5-7-9-19)17-10-13-11-21-15(18-13)16(2,3)4/h11-12,17H,5-10H2,1-4H3.
What are the key properties of 2-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-1-piperidin-1-ylpropan-1-one?
2-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-1-piperidin-1-ylpropan-1-one has a molecular weight of 309.48 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 115592259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).