5-[4-[2-[(2-hydroxy-3-naphthalen-2-yloxypropyl)amino]ethyl]anilino]-1,3-thiazolidine-2,4-dione

C24H25N3O4S — CID 10297712

IUPAC5-[4-[2-[(2-hydroxy-3-naphthalen-2-yloxypropyl)amino]ethyl]anilino]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)C(Nc2ccc(CCNCC(O)COc3ccc4ccccc4c3)cc2)S1
InChIInChI=1S/C24H25N3O4S/c28-20(15-31-21-10-7-17-3-1-2-4-18(17)13-21)14-25-12-11-16-5-8-19(9-6-16)26-23-22(29)27-24(30)32-23/h1-10,13,20,23,25-26,28H,11-12,14-15H2,(H,27,29,30)
InChIKeyLAMAFLNMUNOXCN-UHFFFAOYSA-N
MW451.55 g/mol
LogP3.13
Rot. Bonds10

About 5-[4-[2-[(2-hydroxy-3-naphthalen-2-yloxypropyl)amino]ethyl]anilino]-1,3-thiazolidine-2,4-dione

5-[4-[2-[(2-hydroxy-3-naphthalen-2-yloxypropyl)amino]ethyl]anilino]-1,3-thiazolidine-2,4-dione (PubChem CID 10297712) has the molecular formula C24H25N3O4S and a molecular weight of 451.55 g/mol. Its IUPAC name is 5-[4-[2-[(2-hydroxy-3-naphthalen-2-yloxypropyl)amino]ethyl]anilino]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name5-[4-[2-[(2-hydroxy-3-naphthalen-2-yloxypropyl)amino]ethyl]anilino]-1,3-thiazolidine-2,4-dione
PubChem CID10297712
Molecular FormulaC24H25N3O4S
Molecular Weight451.55 g/mol
Exact Mass451.16
IUPAC Name5-[4-[2-[(2-hydroxy-3-naphthalen-2-yloxypropyl)amino]ethyl]anilino]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)C(Nc2ccc(CCNCC(O)COc3ccc4ccccc4c3)cc2)S1
InChIInChI=1S/C24H25N3O4S/c28-20(15-31-21-10-7-17-3-1-2-4-18(17)13-21)14-25-12-11-16-5-8-19(9-6-16)26-23-22(29)27-24(30)32-23/h1-10,13,20,23,25-26,28H,11-12,14-15H2,(H,27,29,30)
InChIKeyLAMAFLNMUNOXCN-UHFFFAOYSA-N
XLogP3.13
TPSA99.69 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.55
LogP ≤ 53.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 5-[4-[2-[(2-hydroxy-3-naphthalen-2-yloxypropyl)amino]ethyl]anilino]-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

5-[4-[2-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]ethyl]anilino]-1,3-thiazolidine-2,4-dione
CID 10225930
(2R)-1-naphthalen-2-yloxy-3-[2-[4-(trifluoromethyl)phenyl]ethylamino]propan-2-ol
CID 2478160
(2R)-1-[4-[(2R)-2-hydroxy-3-(2-phenylethylamino)propoxy]phenoxy]-3-(2-phenylethylamino)propan-2-ol
CID 41066855
4-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]phenol
CID 12541329
2-[4-[2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]ethyl]phenoxy]acetic acid
CID 15714008
4-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]phenol;oxalic acid
CID 12541330
1-[4-[2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]ethyl]phenyl]-3-phenylurea;hydrochloride
CID 52949022
(2R)-1-(3-ethylphenoxy)-3-(2-phenylethylamino)propan-2-ol
CID 2114693
(2R)-1-(methylamino)-3-naphthalen-2-yloxypropan-2-ol
CID 1132897
N-[4-[(2S)-2-hydroxy-3-[2-(4-hydroxyphenyl)ethylamino]propoxy]phenyl]methanesulfonamide
CID 25107693
N-[4-[2-[[2-hydroxy-3-(2-phenylmethoxyphenoxy)propyl]amino]ethyl]phenyl]naphthalene-2-sulfonamide
CID 19384980
[4-[2-[[(2S)-2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]ethyl]phenoxy]methyl-phenylphosphinic acid
CID 67683432

Frequently Asked Questions

What is the IUPAC name of 5-[4-[2-[(2-hydroxy-3-naphthalen-2-yloxypropyl)amino]ethyl]anilino]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 5-[4-[2-[(2-hydroxy-3-naphthalen-2-yloxypropyl)amino]ethyl]anilino]-1,3-thiazolidine-2,4-dione (CID 10297712) is 5-[4-[2-[(2-hydroxy-3-naphthalen-2-yloxypropyl)amino]ethyl]anilino]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 5-[4-[2-[(2-hydroxy-3-naphthalen-2-yloxypropyl)amino]ethyl]anilino]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 5-[4-[2-[(2-hydroxy-3-naphthalen-2-yloxypropyl)amino]ethyl]anilino]-1,3-thiazolidine-2,4-dione is O=C1NC(=O)C(Nc2ccc(CCNCC(O)COc3ccc4ccccc4c3)cc2)S1.
What is the InChIKey of 5-[4-[2-[(2-hydroxy-3-naphthalen-2-yloxypropyl)amino]ethyl]anilino]-1,3-thiazolidine-2,4-dione?
The InChIKey is LAMAFLNMUNOXCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O4S/c28-20(15-31-21-10-7-17-3-1-2-4-18(17)13-21)14-25-12-11-16-5-8-19(9-6-16)26-23-22(29)27-24(30)32-23/h1-10,13,20,23,25-26,28H,11-12,14-15H2,(H,27,29,30).
What are the key properties of 5-[4-[2-[(2-hydroxy-3-naphthalen-2-yloxypropyl)amino]ethyl]anilino]-1,3-thiazolidine-2,4-dione?
5-[4-[2-[(2-hydroxy-3-naphthalen-2-yloxypropyl)amino]ethyl]anilino]-1,3-thiazolidine-2,4-dione has a molecular weight of 451.55 g/mol, XLogP of 3.13, 10 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[2-[(2-hydroxy-3-naphthalen-2-yloxypropyl)amino]ethyl]anilino]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 10297712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).