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

C16H23N3O2S — CID 10245529

IUPAC(2S)-2-amino-2-cyclohexyl-1-[(2S)-2-(1,3-thiazole-2-carbonyl)pyrrolidin-1-yl]ethanone
SMILESN[C@H](C(=O)N1CCC[C@H]1C(=O)c1nccs1)C1CCCCC1
InChIInChI=1S/C16H23N3O2S/c17-13(11-5-2-1-3-6-11)16(21)19-9-4-7-12(19)14(20)15-18-8-10-22-15/h8,10-13H,1-7,9,17H2/t12-,13-/m0/s1
InChIKeyKXWKRWBNMCIPAV-STQMWFEESA-N
MW321.45 g/mol
LogP2.22
Rot. Bonds4

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

(2S)-2-amino-2-cyclohexyl-1-[(2S)-2-(1,3-thiazole-2-carbonyl)pyrrolidin-1-yl]ethanone (PubChem CID 10245529) has the molecular formula C16H23N3O2S and a molecular weight of 321.45 g/mol. Its IUPAC name is (2S)-2-amino-2-cyclohexyl-1-[(2S)-2-(1,3-thiazole-2-carbonyl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name(2S)-2-amino-2-cyclohexyl-1-[(2S)-2-(1,3-thiazole-2-carbonyl)pyrrolidin-1-yl]ethanone
PubChem CID10245529
Molecular FormulaC16H23N3O2S
Molecular Weight321.45 g/mol
Exact Mass321.15
IUPAC Name(2S)-2-amino-2-cyclohexyl-1-[(2S)-2-(1,3-thiazole-2-carbonyl)pyrrolidin-1-yl]ethanone
SMILESN[C@H](C(=O)N1CCC[C@H]1C(=O)c1nccs1)C1CCCCC1
InChIInChI=1S/C16H23N3O2S/c17-13(11-5-2-1-3-6-11)16(21)19-9-4-7-12(19)14(20)15-18-8-10-22-15/h8,10-13H,1-7,9,17H2/t12-,13-/m0/s1
InChIKeyKXWKRWBNMCIPAV-STQMWFEESA-N
XLogP2.22
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-cyclohexyl-1-[(2S)-2-(1,3-thiazole-2-carbonyl)pyrrolidin-1-yl]ethanone?
The IUPAC name of (2S)-2-amino-2-cyclohexyl-1-[(2S)-2-(1,3-thiazole-2-carbonyl)pyrrolidin-1-yl]ethanone (CID 10245529) is (2S)-2-amino-2-cyclohexyl-1-[(2S)-2-(1,3-thiazole-2-carbonyl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for (2S)-2-amino-2-cyclohexyl-1-[(2S)-2-(1,3-thiazole-2-carbonyl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for (2S)-2-amino-2-cyclohexyl-1-[(2S)-2-(1,3-thiazole-2-carbonyl)pyrrolidin-1-yl]ethanone is N[C@H](C(=O)N1CCC[C@H]1C(=O)c1nccs1)C1CCCCC1.
What is the InChIKey of (2S)-2-amino-2-cyclohexyl-1-[(2S)-2-(1,3-thiazole-2-carbonyl)pyrrolidin-1-yl]ethanone?
The InChIKey is KXWKRWBNMCIPAV-STQMWFEESA-N. The full InChI is InChI=1S/C16H23N3O2S/c17-13(11-5-2-1-3-6-11)16(21)19-9-4-7-12(19)14(20)15-18-8-10-22-15/h8,10-13H,1-7,9,17H2/t12-,13-/m0/s1.
What are the key properties of (2S)-2-amino-2-cyclohexyl-1-[(2S)-2-(1,3-thiazole-2-carbonyl)pyrrolidin-1-yl]ethanone?
(2S)-2-amino-2-cyclohexyl-1-[(2S)-2-(1,3-thiazole-2-carbonyl)pyrrolidin-1-yl]ethanone has a molecular weight of 321.45 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-cyclohexyl-1-[(2S)-2-(1,3-thiazole-2-carbonyl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 10245529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).