(2R)-2-amino-2-cyclohexyl-1-[(2S)-2-(1,3-thiazole-2-carbonyl)piperidin-1-yl]ethanone

C17H25N3O2S — CID 70687195

IUPAC(2R)-2-amino-2-cyclohexyl-1-[(2S)-2-(1,3-thiazole-2-carbonyl)piperidin-1-yl]ethanone
SMILESN[C@@H](C(=O)N1CCCC[C@H]1C(=O)c1nccs1)C1CCCCC1
InChIInChI=1S/C17H25N3O2S/c18-14(12-6-2-1-3-7-12)17(22)20-10-5-4-8-13(20)15(21)16-19-9-11-23-16/h9,11-14H,1-8,10,18H2/t13-,14+/m0/s1
InChIKeyKZQMSNIMFOTBCW-UONOGXRCSA-N
MW335.47 g/mol
LogP2.61
Rot. Bonds4

About (2R)-2-amino-2-cyclohexyl-1-[(2S)-2-(1,3-thiazole-2-carbonyl)piperidin-1-yl]ethanone

(2R)-2-amino-2-cyclohexyl-1-[(2S)-2-(1,3-thiazole-2-carbonyl)piperidin-1-yl]ethanone (PubChem CID 70687195) has the molecular formula C17H25N3O2S and a molecular weight of 335.47 g/mol. Its IUPAC name is (2R)-2-amino-2-cyclohexyl-1-[(2S)-2-(1,3-thiazole-2-carbonyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name(2R)-2-amino-2-cyclohexyl-1-[(2S)-2-(1,3-thiazole-2-carbonyl)piperidin-1-yl]ethanone
PubChem CID70687195
Molecular FormulaC17H25N3O2S
Molecular Weight335.47 g/mol
Exact Mass335.17
IUPAC Name(2R)-2-amino-2-cyclohexyl-1-[(2S)-2-(1,3-thiazole-2-carbonyl)piperidin-1-yl]ethanone
SMILESN[C@@H](C(=O)N1CCCC[C@H]1C(=O)c1nccs1)C1CCCCC1
InChIInChI=1S/C17H25N3O2S/c18-14(12-6-2-1-3-7-12)17(22)20-10-5-4-8-13(20)15(21)16-19-9-11-23-16/h9,11-14H,1-8,10,18H2/t13-,14+/m0/s1
InChIKeyKZQMSNIMFOTBCW-UONOGXRCSA-N
XLogP2.61
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-cyclohexyl-1-[(2S)-2-(1,3-thiazole-2-carbonyl)piperidin-1-yl]ethanone?
The IUPAC name of (2R)-2-amino-2-cyclohexyl-1-[(2S)-2-(1,3-thiazole-2-carbonyl)piperidin-1-yl]ethanone (CID 70687195) is (2R)-2-amino-2-cyclohexyl-1-[(2S)-2-(1,3-thiazole-2-carbonyl)piperidin-1-yl]ethanone.
What is the SMILES notation for (2R)-2-amino-2-cyclohexyl-1-[(2S)-2-(1,3-thiazole-2-carbonyl)piperidin-1-yl]ethanone?
The canonical SMILES for (2R)-2-amino-2-cyclohexyl-1-[(2S)-2-(1,3-thiazole-2-carbonyl)piperidin-1-yl]ethanone is N[C@@H](C(=O)N1CCCC[C@H]1C(=O)c1nccs1)C1CCCCC1.
What is the InChIKey of (2R)-2-amino-2-cyclohexyl-1-[(2S)-2-(1,3-thiazole-2-carbonyl)piperidin-1-yl]ethanone?
The InChIKey is KZQMSNIMFOTBCW-UONOGXRCSA-N. The full InChI is InChI=1S/C17H25N3O2S/c18-14(12-6-2-1-3-7-12)17(22)20-10-5-4-8-13(20)15(21)16-19-9-11-23-16/h9,11-14H,1-8,10,18H2/t13-,14+/m0/s1.
What are the key properties of (2R)-2-amino-2-cyclohexyl-1-[(2S)-2-(1,3-thiazole-2-carbonyl)piperidin-1-yl]ethanone?
(2R)-2-amino-2-cyclohexyl-1-[(2S)-2-(1,3-thiazole-2-carbonyl)piperidin-1-yl]ethanone has a molecular weight of 335.47 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-cyclohexyl-1-[(2S)-2-(1,3-thiazole-2-carbonyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 70687195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).