N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide

C17H23N3O2S — CID 32925892

IUPACN-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide
SMILESC[C@H](CNC(=O)CN1CCSC1=O)N1CCc2ccccc2C1
InChIInChI=1S/C17H23N3O2S/c1-13(10-18-16(21)12-20-8-9-23-17(20)22)19-7-6-14-4-2-3-5-15(14)11-19/h2-5,13H,6-12H2,1H3,(H,18,21)/t13-/m1/s1
InChIKeyZPIKPQFCJYUZQW-CYBMUJFWSA-N
MW333.46 g/mol
LogP1.72
Rot. Bonds5

About N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide

N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide (PubChem CID 32925892) has the molecular formula C17H23N3O2S and a molecular weight of 333.46 g/mol. Its IUPAC name is N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide.

Molecular Properties

Compound NameN-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide
PubChem CID32925892
Molecular FormulaC17H23N3O2S
Molecular Weight333.46 g/mol
Exact Mass333.15
IUPAC NameN-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide
SMILESC[C@H](CNC(=O)CN1CCSC1=O)N1CCc2ccccc2C1
InChIInChI=1S/C17H23N3O2S/c1-13(10-18-16(21)12-20-8-9-23-17(20)22)19-7-6-14-4-2-3-5-15(14)11-19/h2-5,13H,6-12H2,1H3,(H,18,21)/t13-/m1/s1
InChIKeyZPIKPQFCJYUZQW-CYBMUJFWSA-N
XLogP1.72
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3,3,3-trifluoropropanamide
CID 94054122
2-(2-oxo-1,3-thiazolidin-3-yl)-N-[(2R)-2-phenylpropyl]acetamide
CID 9089962
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-methylpropanamide
CID 47163208
N-[3-[[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]amino]-3-oxopropyl]-3-methylbutanamide
CID 96508429
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-(2-methoxyethylamino)acetamide
CID 119868155
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]cyclopropanecarboxamide
CID 47163209
3-(2-bromophenyl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]propanamide
CID 60506646
N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-(4-methoxyphenoxy)acetamide
CID 32923763
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119941703
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-hydroxy-2-phenylacetamide
CID 111464478
N-[2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propylamino]-2-oxoethyl]-4-phenylbenzamide
CID 43061025
N-(2,2-diphenylpropyl)-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide
CID 18093818

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide?
The IUPAC name of N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide (CID 32925892) is N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide.
What is the SMILES notation for N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide?
The canonical SMILES for N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide is C[C@H](CNC(=O)CN1CCSC1=O)N1CCc2ccccc2C1.
What is the InChIKey of N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide?
The InChIKey is ZPIKPQFCJYUZQW-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H23N3O2S/c1-13(10-18-16(21)12-20-8-9-23-17(20)22)19-7-6-14-4-2-3-5-15(14)11-19/h2-5,13H,6-12H2,1H3,(H,18,21)/t13-/m1/s1.
What are the key properties of N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide?
N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide has a molecular weight of 333.46 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide is sourced from PubChem (CID 32925892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).