(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

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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)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).