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

C17H25N3O2S — CID 70682948

IUPAC(2R)-2-amino-2-cyclohexyl-1-[(2R)-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-/m1/s1
InChIKeyKZQMSNIMFOTBCW-ZIAGYGMSSA-N
MW335.47 g/mol
LogP2.61
Rot. Bonds4

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

(2R)-2-amino-2-cyclohexyl-1-[(2R)-2-(1,3-thiazole-2-carbonyl)piperidin-1-yl]ethanone (PubChem CID 70682948) has the molecular formula C17H25N3O2S and a molecular weight of 335.47 g/mol. Its IUPAC name is (2R)-2-amino-2-cyclohexyl-1-[(2R)-2-(1,3-thiazole-2-carbonyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name(2R)-2-amino-2-cyclohexyl-1-[(2R)-2-(1,3-thiazole-2-carbonyl)piperidin-1-yl]ethanone
PubChem CID70682948
Molecular FormulaC17H25N3O2S
Molecular Weight335.47 g/mol
Exact Mass335.17
IUPAC Name(2R)-2-amino-2-cyclohexyl-1-[(2R)-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-/m1/s1
InChIKeyKZQMSNIMFOTBCW-ZIAGYGMSSA-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

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

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Related Compounds

(2S)-2-amino-2-cyclohexyl-1-[(2S)-2-(1,3-thiazole-2-carbonyl)pyrrolidin-1-yl]ethanone
CID 10245529
[(S)-1-((2S,3aS,7aS)-Octahydro-indole-2-carbonyl)-pyrrolidin-2-yl]-thiazol-2-yl-methanone; hydrochloride
CID 10336929
(6S,8aS)-2-(3-cyclohexylpropanoyl)-N-[5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]-4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-6-carboxamide
CID 44338606
2-[(S)-3-(3-Guanidino-propyl)-2-oxo-piperazin-1-yl]-N-[(S)-4-guanidino-1-(thiazole-2-carbonyl)-butyl]-acetamide
CID 44376514
2-[(R)-3-(3-Guanidino-propyl)-2,5-dioxo-piperazin-1-yl]-N-[(S)-4-guanidino-1-(thiazole-2-carbonyl)-butyl]-acetamide
CID 44376700
2-[(S)-3-(3-Guanidino-propyl)-2,5-dioxo-piperazin-1-yl]-N-[(S)-4-guanidino-1-(thiazole-2-carbonyl)-butyl]-acetamide
CID 44376731
(2S)-2-amino-2-cyclohexyl-1-[(2S)-2-(1,3-thiazole-2-carbonyl)azetidin-1-yl]ethanone
CID 44453458
Ac-Leu-Arg-thiazol-2-yl
CID 127042543
Ac-Leu-D-Arg-thiazol-2-yl
CID 127042544
(S)-N-((S)-6-amino-1-oxo-1-(thiazol-2-yl)hexan-2-yl)-1-((R)-2-amino-3-cyclohexylpropanoyl)pyrrolidine-2-carboxamide
CID 10863550
2-Amino-N-{[5-amino-1-(thiazole-2-carbonyl)-pentylcarbamoyl]-methyl}-3-cyclohexyl-N-cyclopropyl-propionamide
CID 10917579
(2-{2-[5-Amino-1-(thiazole-2-carbonyl)-pentylcarbamoyl]-pyrrolidin-1-yl}-1-cyclohexylmethyl-2-oxo-ethylamino)-acetic acid
CID 10929422

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-cyclohexyl-1-[(2R)-2-(1,3-thiazole-2-carbonyl)piperidin-1-yl]ethanone?
The IUPAC name of (2R)-2-amino-2-cyclohexyl-1-[(2R)-2-(1,3-thiazole-2-carbonyl)piperidin-1-yl]ethanone (CID 70682948) is (2R)-2-amino-2-cyclohexyl-1-[(2R)-2-(1,3-thiazole-2-carbonyl)piperidin-1-yl]ethanone.
What is the SMILES notation for (2R)-2-amino-2-cyclohexyl-1-[(2R)-2-(1,3-thiazole-2-carbonyl)piperidin-1-yl]ethanone?
The canonical SMILES for (2R)-2-amino-2-cyclohexyl-1-[(2R)-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-[(2R)-2-(1,3-thiazole-2-carbonyl)piperidin-1-yl]ethanone?
The InChIKey is KZQMSNIMFOTBCW-ZIAGYGMSSA-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-/m1/s1.
What are the key properties of (2R)-2-amino-2-cyclohexyl-1-[(2R)-2-(1,3-thiazole-2-carbonyl)piperidin-1-yl]ethanone?
(2R)-2-amino-2-cyclohexyl-1-[(2R)-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-[(2R)-2-(1,3-thiazole-2-carbonyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 70682948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).