3-[(2S)-2-hydroxy-3-naphthalen-1-yloxypropyl]-1,3-thiazolidine-2,4-dione

C16H15NO4S — CID 2309613

IUPAC3-[(2S)-2-hydroxy-3-naphthalen-1-yloxypropyl]-1,3-thiazolidine-2,4-dione
SMILESO=C1CSC(=O)N1C[C@H](O)COc1cccc2ccccc12
InChIInChI=1S/C16H15NO4S/c18-12(8-17-15(19)10-22-16(17)20)9-21-14-7-3-5-11-4-1-2-6-13(11)14/h1-7,12,18H,8-10H2/t12-/m0/s1
InChIKeyZAVBRPLTLZBVCC-LBPRGKRZSA-N
MW317.37 g/mol
LogP2.27
Rot. Bonds5

About 3-[(2S)-2-hydroxy-3-naphthalen-1-yloxypropyl]-1,3-thiazolidine-2,4-dione

3-[(2S)-2-hydroxy-3-naphthalen-1-yloxypropyl]-1,3-thiazolidine-2,4-dione (PubChem CID 2309613) has the molecular formula C16H15NO4S and a molecular weight of 317.37 g/mol. Its IUPAC name is 3-[(2S)-2-hydroxy-3-naphthalen-1-yloxypropyl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(2S)-2-hydroxy-3-naphthalen-1-yloxypropyl]-1,3-thiazolidine-2,4-dione
PubChem CID2309613
Molecular FormulaC16H15NO4S
Molecular Weight317.37 g/mol
Exact Mass317.07
IUPAC Name3-[(2S)-2-hydroxy-3-naphthalen-1-yloxypropyl]-1,3-thiazolidine-2,4-dione
SMILESO=C1CSC(=O)N1C[C@H](O)COc1cccc2ccccc12
InChIInChI=1S/C16H15NO4S/c18-12(8-17-15(19)10-22-16(17)20)9-21-14-7-3-5-11-4-1-2-6-13(11)14/h1-7,12,18H,8-10H2/t12-/m0/s1
InChIKeyZAVBRPLTLZBVCC-LBPRGKRZSA-N
XLogP2.27
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[(2S)-2-hydroxy-3-naphthalen-1-yloxypropyl]-1,3-thiazolidine-2,4-dione 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

3-[(2S)-3-[4-[(2S)-3-(2,4-dioxo-1,3-thiazolidin-3-yl)-2-hydroxypropoxy]phenoxy]-2-hydroxypropyl]-1,3-thiazolidine-2,4-dione
CID 41299797
1-ethyl-3-[(2R)-2-hydroxy-3-naphthalen-1-yloxypropyl]benzimidazol-2-one
CID 52566005
1-naphthalen-1-yloxy-3-piperidin-1-ylpropan-2-ol;hydrochloride
CID 14556459
3-(2-hydroxy-3-naphthalen-1-yloxypropyl)-1,2,3-benzotriazin-4-one
CID 17469213
4-(2-hydroxy-3-naphthalen-1-yloxypropyl)piperazin-2-one
CID 18081715
8-ethyl-3-[(2S)-2-hydroxy-3-naphthalen-1-yloxypropyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 26008305
1-(2-hydroxy-3-naphthalen-1-yloxypropyl)-1,4-diazepan-5-one
CID 110882982
ethyl 4-[(2R)-2-hydroxy-3-naphthalen-1-yloxypropyl]piperazine-1-carboxylate
CID 27646446
1-naphthalen-1-yloxy-3-(4-nitroimidazol-1-yl)propan-2-ol
CID 42948829
1-(2-hydroxy-3-naphthalen-1-yloxypropyl)pyrrolidine-2-carboxylic acid
CID 110182844
(2R)-1-(3-methylbenzimidazol-3-ium-1-yl)-3-naphthalen-1-yloxypropan-2-ol
CID 40503008
4-amino-1-naphthalen-1-yloxybutan-2-ol
CID 86215876

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-2-hydroxy-3-naphthalen-1-yloxypropyl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 3-[(2S)-2-hydroxy-3-naphthalen-1-yloxypropyl]-1,3-thiazolidine-2,4-dione (CID 2309613) is 3-[(2S)-2-hydroxy-3-naphthalen-1-yloxypropyl]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 3-[(2S)-2-hydroxy-3-naphthalen-1-yloxypropyl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 3-[(2S)-2-hydroxy-3-naphthalen-1-yloxypropyl]-1,3-thiazolidine-2,4-dione is O=C1CSC(=O)N1C[C@H](O)COc1cccc2ccccc12.
What is the InChIKey of 3-[(2S)-2-hydroxy-3-naphthalen-1-yloxypropyl]-1,3-thiazolidine-2,4-dione?
The InChIKey is ZAVBRPLTLZBVCC-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H15NO4S/c18-12(8-17-15(19)10-22-16(17)20)9-21-14-7-3-5-11-4-1-2-6-13(11)14/h1-7,12,18H,8-10H2/t12-/m0/s1.
What are the key properties of 3-[(2S)-2-hydroxy-3-naphthalen-1-yloxypropyl]-1,3-thiazolidine-2,4-dione?
3-[(2S)-2-hydroxy-3-naphthalen-1-yloxypropyl]-1,3-thiazolidine-2,4-dione has a molecular weight of 317.37 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-2-hydroxy-3-naphthalen-1-yloxypropyl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 2309613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).