N-naphthalen-1-yl-2-[(5S)-4-oxo-2-[[(2R)-oxolan-2-yl]methylimino]-1,3-thiazolidin-5-yl]acetamide

C20H21N3O3S — CID 135738827

IUPACN-naphthalen-1-yl-2-[(5S)-4-oxo-2-[[(2R)-oxolan-2-yl]methylimino]-1,3-thiazolidin-5-yl]acetamide
SMILESO=C(C[C@@H]1S/C(=N\C[C@H]2CCCO2)NC1=O)Nc1cccc2ccccc12
InChIInChI=1S/C20H21N3O3S/c24-18(22-16-9-3-6-13-5-1-2-8-15(13)16)11-17-19(25)23-20(27-17)21-12-14-7-4-10-26-14/h1-3,5-6,8-9,14,17H,4,7,10-12H2,(H,22,24)(H,21,23,25)/t14-,17+/m1/s1
InChIKeyNIICOVPQPNZYGU-PBHICJAKSA-N
MW383.47 g/mol
LogP2.93
Rot. Bonds5

About N-naphthalen-1-yl-2-[(5S)-4-oxo-2-[[(2R)-oxolan-2-yl]methylimino]-1,3-thiazolidin-5-yl]acetamide

N-naphthalen-1-yl-2-[(5S)-4-oxo-2-[[(2R)-oxolan-2-yl]methylimino]-1,3-thiazolidin-5-yl]acetamide (PubChem CID 135738827) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is N-naphthalen-1-yl-2-[(5S)-4-oxo-2-[[(2R)-oxolan-2-yl]methylimino]-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

Compound NameN-naphthalen-1-yl-2-[(5S)-4-oxo-2-[[(2R)-oxolan-2-yl]methylimino]-1,3-thiazolidin-5-yl]acetamide
PubChem CID135738827
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC NameN-naphthalen-1-yl-2-[(5S)-4-oxo-2-[[(2R)-oxolan-2-yl]methylimino]-1,3-thiazolidin-5-yl]acetamide
SMILESO=C(C[C@@H]1S/C(=N\C[C@H]2CCCO2)NC1=O)Nc1cccc2ccccc12
InChIInChI=1S/C20H21N3O3S/c24-18(22-16-9-3-6-13-5-1-2-8-15(13)16)11-17-19(25)23-20(27-17)21-12-14-7-4-10-26-14/h1-3,5-6,8-9,14,17H,4,7,10-12H2,(H,22,24)(H,21,23,25)/t14-,17+/m1/s1
InChIKeyNIICOVPQPNZYGU-PBHICJAKSA-N
XLogP2.93
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-(2-chlorophenyl)-2-[4-oxo-2-(oxolan-2-ylmethylimino)-1,3-thiazolidin-5-yl]acetamide
CID 135718712
2-[(5S)-4-oxo-2-[[(2S)-oxolan-2-yl]methylimino]-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 135673219
N-[(4-chlorophenyl)methyl]-2-[(5R)-4-oxo-2-[[(2R)-oxolan-2-yl]methylimino]-1,3-thiazolidin-5-yl]acetamide
CID 135849441
N-[(4-chlorophenyl)methyl]-2-[(5R)-4-oxo-2-[[(2S)-oxolan-2-yl]methylimino]-1,3-thiazolidin-5-yl]acetamide
CID 135849439
2-[(5R)-4-oxo-2-[[(2S)-oxolan-2-yl]methylimino]-1,3-thiazolidin-5-yl]-N-(2-phenylethyl)acetamide
CID 135708434
N-naphthalen-1-yl-2-[(5R)-4-oxo-2-prop-2-enylimino-1,3-thiazolidin-5-yl]acetamide
CID 135673184
N-(2-chloro-5-nitrophenyl)-2-[(5S)-4-oxo-2-[[(2S)-oxolan-2-yl]methylimino]-1,3-thiazolidin-5-yl]acetamide
CID 135721760
N-(2-chloro-5-nitrophenyl)-2-[(5R)-4-oxo-2-[[(2S)-oxolan-2-yl]methylimino]-1,3-thiazolidin-5-yl]acetamide
CID 135721759
N-naphthalen-1-yl-2-[(5S)-4-oxo-2-(2-phenylethylimino)-1,3-thiazolidin-5-yl]acetamide
CID 135836409
2-[(5S)-2-(3-methylbutylimino)-4-oxo-1,3-thiazolidin-5-yl]-N-naphthalen-1-ylacetamide
CID 135691756
2-[(5R)-2-(2,6-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-naphthalen-1-ylacetamide
CID 135692156
2-(2-carbamimidoylimino-4-oxo-1,3-thiazolidin-5-yl)-N-naphthalen-1-ylacetamide
CID 154777202

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-2-[(5S)-4-oxo-2-[[(2R)-oxolan-2-yl]methylimino]-1,3-thiazolidin-5-yl]acetamide?
The IUPAC name of N-naphthalen-1-yl-2-[(5S)-4-oxo-2-[[(2R)-oxolan-2-yl]methylimino]-1,3-thiazolidin-5-yl]acetamide (CID 135738827) is N-naphthalen-1-yl-2-[(5S)-4-oxo-2-[[(2R)-oxolan-2-yl]methylimino]-1,3-thiazolidin-5-yl]acetamide.
What is the SMILES notation for N-naphthalen-1-yl-2-[(5S)-4-oxo-2-[[(2R)-oxolan-2-yl]methylimino]-1,3-thiazolidin-5-yl]acetamide?
The canonical SMILES for N-naphthalen-1-yl-2-[(5S)-4-oxo-2-[[(2R)-oxolan-2-yl]methylimino]-1,3-thiazolidin-5-yl]acetamide is O=C(C[C@@H]1S/C(=N\C[C@H]2CCCO2)NC1=O)Nc1cccc2ccccc12.
What is the InChIKey of N-naphthalen-1-yl-2-[(5S)-4-oxo-2-[[(2R)-oxolan-2-yl]methylimino]-1,3-thiazolidin-5-yl]acetamide?
The InChIKey is NIICOVPQPNZYGU-PBHICJAKSA-N. The full InChI is InChI=1S/C20H21N3O3S/c24-18(22-16-9-3-6-13-5-1-2-8-15(13)16)11-17-19(25)23-20(27-17)21-12-14-7-4-10-26-14/h1-3,5-6,8-9,14,17H,4,7,10-12H2,(H,22,24)(H,21,23,25)/t14-,17+/m1/s1.
What are the key properties of N-naphthalen-1-yl-2-[(5S)-4-oxo-2-[[(2R)-oxolan-2-yl]methylimino]-1,3-thiazolidin-5-yl]acetamide?
N-naphthalen-1-yl-2-[(5S)-4-oxo-2-[[(2R)-oxolan-2-yl]methylimino]-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 383.47 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-2-[(5S)-4-oxo-2-[[(2R)-oxolan-2-yl]methylimino]-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 135738827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).