3-[(2R)-2-naphthalen-1-yl-4-oxo-1,3-thiazolidin-3-yl]imidazolidine-2,4-dione

C16H13N3O3S — CID 708461

IUPAC3-[(2R)-2-naphthalen-1-yl-4-oxo-1,3-thiazolidin-3-yl]imidazolidine-2,4-dione
SMILESO=C1CNC(=O)N1N1C(=O)CS[C@@H]1c1cccc2ccccc12
InChIInChI=1S/C16H13N3O3S/c20-13-8-17-16(22)19(13)18-14(21)9-23-15(18)12-7-3-5-10-4-1-2-6-11(10)12/h1-7,15H,8-9H2,(H,17,22)/t15-/m1/s1
InChIKeyOZFGCVBHIMEQQB-OAHLLOKOSA-N
MW327.37 g/mol
LogP1.88
Rot. Bonds2

About 3-[(2R)-2-naphthalen-1-yl-4-oxo-1,3-thiazolidin-3-yl]imidazolidine-2,4-dione

3-[(2R)-2-naphthalen-1-yl-4-oxo-1,3-thiazolidin-3-yl]imidazolidine-2,4-dione (PubChem CID 708461) has the molecular formula C16H13N3O3S and a molecular weight of 327.37 g/mol. Its IUPAC name is 3-[(2R)-2-naphthalen-1-yl-4-oxo-1,3-thiazolidin-3-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(2R)-2-naphthalen-1-yl-4-oxo-1,3-thiazolidin-3-yl]imidazolidine-2,4-dione
PubChem CID708461
Molecular FormulaC16H13N3O3S
Molecular Weight327.37 g/mol
Exact Mass327.07
IUPAC Name3-[(2R)-2-naphthalen-1-yl-4-oxo-1,3-thiazolidin-3-yl]imidazolidine-2,4-dione
SMILESO=C1CNC(=O)N1N1C(=O)CS[C@@H]1c1cccc2ccccc12
InChIInChI=1S/C16H13N3O3S/c20-13-8-17-16(22)19(13)18-14(21)9-23-15(18)12-7-3-5-10-4-1-2-6-11(10)12/h1-7,15H,8-9H2,(H,17,22)/t15-/m1/s1
InChIKeyOZFGCVBHIMEQQB-OAHLLOKOSA-N
XLogP1.88
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.37
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[(2R)-2-naphthalen-1-yl-4-oxo-1,3-thiazolidin-3-yl]imidazolidine-2,4-dione with MolForge

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Related Compounds

2-naphthalen-1-yl-3-propan-2-yl-1,3-thiazolidin-4-one
CID 101199621
2-naphthalen-1-yl-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
CID 5233456
5-naphthalen-1-yl-1,3-oxazolidin-2-one
CID 13152451
(3R)-1-methyl-3-naphthalen-1-ylpiperazine-2,5-dione
CID 51893578
(5S)-3-methylidene-5-naphthalen-1-yloxolan-2-one
CID 102168852
1-naphthalen-1-ylpiperazine-2,5-dione
CID 64955278
2-(4-methoxynaphthalen-1-yl)-3-propyl-1,3-thiazolidin-4-one
CID 3824403
2-(2,3-dimethoxyphenyl)-3-[(3,4,5-trimethoxyphenyl)methyl]-1,3-thiazolidin-4-one
CID 3856405
1-naphthalen-1-yl-1,4-diazepane-2,5-dione
CID 64956427
2-(1H-indol-3-yl)-3-propyl-1,3-thiazolidin-4-one
CID 4679955
8-naphthalen-1-yl-5-azaspiro[2.6]nonan-7-one
CID 70963500
3-(2-hydroxyethyl)-2-(1-methylindol-3-yl)-1,3-thiazolidin-4-one
CID 23995593

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-2-naphthalen-1-yl-4-oxo-1,3-thiazolidin-3-yl]imidazolidine-2,4-dione?
The IUPAC name of 3-[(2R)-2-naphthalen-1-yl-4-oxo-1,3-thiazolidin-3-yl]imidazolidine-2,4-dione (CID 708461) is 3-[(2R)-2-naphthalen-1-yl-4-oxo-1,3-thiazolidin-3-yl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[(2R)-2-naphthalen-1-yl-4-oxo-1,3-thiazolidin-3-yl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[(2R)-2-naphthalen-1-yl-4-oxo-1,3-thiazolidin-3-yl]imidazolidine-2,4-dione is O=C1CNC(=O)N1N1C(=O)CS[C@@H]1c1cccc2ccccc12.
What is the InChIKey of 3-[(2R)-2-naphthalen-1-yl-4-oxo-1,3-thiazolidin-3-yl]imidazolidine-2,4-dione?
The InChIKey is OZFGCVBHIMEQQB-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H13N3O3S/c20-13-8-17-16(22)19(13)18-14(21)9-23-15(18)12-7-3-5-10-4-1-2-6-11(10)12/h1-7,15H,8-9H2,(H,17,22)/t15-/m1/s1.
What are the key properties of 3-[(2R)-2-naphthalen-1-yl-4-oxo-1,3-thiazolidin-3-yl]imidazolidine-2,4-dione?
3-[(2R)-2-naphthalen-1-yl-4-oxo-1,3-thiazolidin-3-yl]imidazolidine-2,4-dione has a molecular weight of 327.37 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-2-naphthalen-1-yl-4-oxo-1,3-thiazolidin-3-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 708461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).