N-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide

C14H23N3O2S — CID 51983583

IUPACN-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
SMILESO=C(CCN1CCSC1=O)N[C@H]1CCN2CCCC[C@@H]12
InChIInChI=1S/C14H23N3O2S/c18-13(5-8-17-9-10-20-14(17)19)15-11-4-7-16-6-2-1-3-12(11)16/h11-12H,1-10H2,(H,15,18)/t11-,12-/m0/s1
InChIKeyPJPHHROYLBXCJW-RYUDHWBXSA-N
MW297.42 g/mol
LogP1.29
Rot. Bonds4

About N-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide

N-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide (PubChem CID 51983583) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is N-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide.

Molecular Properties

Compound NameN-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
PubChem CID51983583
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC NameN-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
SMILESO=C(CCN1CCSC1=O)N[C@H]1CCN2CCCC[C@@H]12
InChIInChI=1S/C14H23N3O2S/c18-13(5-8-17-9-10-20-14(17)19)15-11-4-7-16-6-2-1-3-12(11)16/h11-12H,1-10H2,(H,15,18)/t11-,12-/m0/s1
InChIKeyPJPHHROYLBXCJW-RYUDHWBXSA-N
XLogP1.29
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

Analyze N-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide with MolForge

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

Launch Full Analysis

Related Compounds

N-cyclohexyl-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 60681979
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-4-hydroxybutanamide
CID 79200616
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-(ethylamino)propanamide
CID 62832914
N-[(1R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 100851036
N-cyclopentyloxy-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 83202689
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-bromoacetamide
CID 63680826
N-[(1R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-(1,2,4-triazol-1-yl)propanamide
CID 100839204
4-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoylamino]oxolane-3-carboxylic acid
CID 66238465
7-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)heptanamide
CID 43705615
2-(1-aminocyclopentyl)-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)acetamide
CID 64684823
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 18121098
N-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-thiophen-3-ylpropanamide
CID 94867277

Frequently Asked Questions

What is the IUPAC name of N-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
The IUPAC name of N-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide (CID 51983583) is N-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide.
What is the SMILES notation for N-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
The canonical SMILES for N-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide is O=C(CCN1CCSC1=O)N[C@H]1CCN2CCCC[C@@H]12.
What is the InChIKey of N-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
The InChIKey is PJPHHROYLBXCJW-RYUDHWBXSA-N. The full InChI is InChI=1S/C14H23N3O2S/c18-13(5-8-17-9-10-20-14(17)19)15-11-4-7-16-6-2-1-3-12(11)16/h11-12H,1-10H2,(H,15,18)/t11-,12-/m0/s1.
What are the key properties of N-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
N-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide has a molecular weight of 297.42 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide is sourced from PubChem (CID 51983583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).