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

C15H21N3O2S — CID 70687201

IUPAC(2R)-2-amino-2-cyclohexyl-1-[(2S)-2-(1,3-thiazole-2-carbonyl)azetidin-1-yl]ethanone
SMILESN[C@@H](C(=O)N1CC[C@H]1C(=O)c1nccs1)C1CCCCC1
InChIInChI=1S/C15H21N3O2S/c16-12(10-4-2-1-3-5-10)15(20)18-8-6-11(18)13(19)14-17-7-9-21-14/h7,9-12H,1-6,8,16H2/t11-,12+/m0/s1
InChIKeyVLSATKQZHMWESQ-NWDGAFQWSA-N
MW307.42 g/mol
LogP1.83
Rot. Bonds4

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

(2R)-2-amino-2-cyclohexyl-1-[(2S)-2-(1,3-thiazole-2-carbonyl)azetidin-1-yl]ethanone (PubChem CID 70687201) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is (2R)-2-amino-2-cyclohexyl-1-[(2S)-2-(1,3-thiazole-2-carbonyl)azetidin-1-yl]ethanone.

Molecular Properties

Compound Name(2R)-2-amino-2-cyclohexyl-1-[(2S)-2-(1,3-thiazole-2-carbonyl)azetidin-1-yl]ethanone
PubChem CID70687201
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC Name(2R)-2-amino-2-cyclohexyl-1-[(2S)-2-(1,3-thiazole-2-carbonyl)azetidin-1-yl]ethanone
SMILESN[C@@H](C(=O)N1CC[C@H]1C(=O)c1nccs1)C1CCCCC1
InChIInChI=1S/C15H21N3O2S/c16-12(10-4-2-1-3-5-10)15(20)18-8-6-11(18)13(19)14-17-7-9-21-14/h7,9-12H,1-6,8,16H2/t11-,12+/m0/s1
InChIKeyVLSATKQZHMWESQ-NWDGAFQWSA-N
XLogP1.83
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-2-amino-2-cyclohexyl-1-[(2S)-2-(1,3-thiazole-2-carbonyl)azetidin-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
(2S)-2-amino-2-cyclohexyl-1-[(2S)-2-(1,3-thiazole-2-carbonyl)azetidin-1-yl]ethanone
CID 44453458
(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
((R)-2-Cyclohexyl-1-{methyl-[(2-oxo-1-piperidin-4-ylmethyl-2-thiazol-2-yl-ethylcarbamoyl)-methyl]-carbamoyl}-ethylamino)-acetic acid
CID 44273614
N-[(R)-4-Guanidino-1-(thiazole-2-carbonyl)-butyl]-2-[2-oxo-3-(2-piperidin-4-yl-ethyl)-piperidin-1-yl]-acetamide
CID 44376385
H-Oic-Pro-thiazol-2-yl.HCl
CID 45265675
(2R)-2-amino-2-cyclohexyl-1-[(2R)-2-(1,3-thiazole-2-carbonyl)pyrrolidin-1-yl]ethanone
CID 70685028
(2R)-2-amino-2-cyclohexyl-1-[(2S)-2-(1,3-thiazole-2-carbonyl)pyrrolidin-1-yl]ethanone
CID 70687196
(2R)-2-amino-2-cyclohexyl-1-[(2R)-2-(1,3-thiazole-2-carbonyl)azetidin-1-yl]ethanone
CID 70697566

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-cyclohexyl-1-[(2S)-2-(1,3-thiazole-2-carbonyl)azetidin-1-yl]ethanone?
The IUPAC name of (2R)-2-amino-2-cyclohexyl-1-[(2S)-2-(1,3-thiazole-2-carbonyl)azetidin-1-yl]ethanone (CID 70687201) is (2R)-2-amino-2-cyclohexyl-1-[(2S)-2-(1,3-thiazole-2-carbonyl)azetidin-1-yl]ethanone.
What is the SMILES notation for (2R)-2-amino-2-cyclohexyl-1-[(2S)-2-(1,3-thiazole-2-carbonyl)azetidin-1-yl]ethanone?
The canonical SMILES for (2R)-2-amino-2-cyclohexyl-1-[(2S)-2-(1,3-thiazole-2-carbonyl)azetidin-1-yl]ethanone is N[C@@H](C(=O)N1CC[C@H]1C(=O)c1nccs1)C1CCCCC1.
What is the InChIKey of (2R)-2-amino-2-cyclohexyl-1-[(2S)-2-(1,3-thiazole-2-carbonyl)azetidin-1-yl]ethanone?
The InChIKey is VLSATKQZHMWESQ-NWDGAFQWSA-N. The full InChI is InChI=1S/C15H21N3O2S/c16-12(10-4-2-1-3-5-10)15(20)18-8-6-11(18)13(19)14-17-7-9-21-14/h7,9-12H,1-6,8,16H2/t11-,12+/m0/s1.
What are the key properties of (2R)-2-amino-2-cyclohexyl-1-[(2S)-2-(1,3-thiazole-2-carbonyl)azetidin-1-yl]ethanone?
(2R)-2-amino-2-cyclohexyl-1-[(2S)-2-(1,3-thiazole-2-carbonyl)azetidin-1-yl]ethanone has a molecular weight of 307.42 g/mol, XLogP of 1.83, 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)azetidin-1-yl]ethanone is sourced from PubChem (CID 70687201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).