N-[(2S)-1-oxo-1-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]propan-2-yl]acetamide

C13H19N3O2S — CID 95770213

IUPACN-[(2S)-1-oxo-1-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]propan-2-yl]acetamide
SMILESCC(=O)N[C@@H](C)C(=O)N1CCCC[C@H]1c1nccs1
InChIInChI=1S/C13H19N3O2S/c1-9(15-10(2)17)13(18)16-7-4-3-5-11(16)12-14-6-8-19-12/h6,8-9,11H,3-5,7H2,1-2H3,(H,15,17)/t9-,11-/m0/s1
InChIKeyNXAYNAHICKDSMP-ONGXEEELSA-N
MW281.38 g/mol
LogP1.72
Rot. Bonds3

About N-[(2S)-1-oxo-1-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]propan-2-yl]acetamide

N-[(2S)-1-oxo-1-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]propan-2-yl]acetamide (PubChem CID 95770213) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is N-[(2S)-1-oxo-1-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]propan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2S)-1-oxo-1-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]propan-2-yl]acetamide
PubChem CID95770213
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC NameN-[(2S)-1-oxo-1-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]propan-2-yl]acetamide
SMILESCC(=O)N[C@@H](C)C(=O)N1CCCC[C@H]1c1nccs1
InChIInChI=1S/C13H19N3O2S/c1-9(15-10(2)17)13(18)16-7-4-3-5-11(16)12-14-6-8-19-12/h6,8-9,11H,3-5,7H2,1-2H3,(H,15,17)/t9-,11-/m0/s1
InChIKeyNXAYNAHICKDSMP-ONGXEEELSA-N
XLogP1.72
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2S)-1-oxo-1-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]propan-2-yl]acetamide with MolForge

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Related Compounds

(2R)-2-prop-2-enoxy-1-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 95761185
2-(1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 66584691
2-(1-propan-2-ylpiperidin-4-yl)-1-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 97200306
(2S)-2-(3-methylphenyl)-1-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 95774334
(4S)-1-propan-2-yl-4-[(2S)-2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 95770198
(3R)-3-phenyl-1-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one
CID 95770134
(2R)-N-(2-propan-2-ylsulfanylethyl)-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 125143068
(2R)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-1-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 95774325
methyl 4-oxo-4-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]butanoate
CID 110750323
[2-(methylamino)-1,3-thiazol-4-yl]-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 77087316
2-(4-methylphenyl)-1-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 95761217
N'-[1-(2-methylpiperidin-1-yl)-1-oxopropan-2-yl]-N-(1,3-thiazol-2-yl)propanediamide
CID 75371274

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-oxo-1-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]propan-2-yl]acetamide?
The IUPAC name of N-[(2S)-1-oxo-1-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]propan-2-yl]acetamide (CID 95770213) is N-[(2S)-1-oxo-1-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]propan-2-yl]acetamide.
What is the SMILES notation for N-[(2S)-1-oxo-1-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]propan-2-yl]acetamide?
The canonical SMILES for N-[(2S)-1-oxo-1-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]propan-2-yl]acetamide is CC(=O)N[C@@H](C)C(=O)N1CCCC[C@H]1c1nccs1.
What is the InChIKey of N-[(2S)-1-oxo-1-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]propan-2-yl]acetamide?
The InChIKey is NXAYNAHICKDSMP-ONGXEEELSA-N. The full InChI is InChI=1S/C13H19N3O2S/c1-9(15-10(2)17)13(18)16-7-4-3-5-11(16)12-14-6-8-19-12/h6,8-9,11H,3-5,7H2,1-2H3,(H,15,17)/t9-,11-/m0/s1.
What are the key properties of N-[(2S)-1-oxo-1-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]propan-2-yl]acetamide?
N-[(2S)-1-oxo-1-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]propan-2-yl]acetamide has a molecular weight of 281.38 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-oxo-1-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]propan-2-yl]acetamide is sourced from PubChem (CID 95770213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).