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

C24H25N3O4S — CID 10225930

IUPAC5-[4-[2-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]ethyl]anilino]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)C(Nc2ccc(CCNCC(O)COc3cccc4ccccc34)cc2)S1
InChIInChI=1S/C24H25N3O4S/c28-19(15-31-21-7-3-5-17-4-1-2-6-20(17)21)14-25-13-12-16-8-10-18(11-9-16)26-23-22(29)27-24(30)32-23/h1-11,19,23,25-26,28H,12-15H2,(H,27,29,30)
InChIKeyXEPWEBSGALYHAC-UHFFFAOYSA-N
MW451.55 g/mol
LogP3.13
Rot. Bonds10

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

5-[4-[2-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]ethyl]anilino]-1,3-thiazolidine-2,4-dione (PubChem CID 10225930) 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-1-yloxypropyl)amino]ethyl]anilino]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name5-[4-[2-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]ethyl]anilino]-1,3-thiazolidine-2,4-dione
PubChem CID10225930
Molecular FormulaC24H25N3O4S
Molecular Weight451.55 g/mol
Exact Mass451.16
IUPAC Name5-[4-[2-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]ethyl]anilino]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)C(Nc2ccc(CCNCC(O)COc3cccc4ccccc34)cc2)S1
InChIInChI=1S/C24H25N3O4S/c28-19(15-31-21-7-3-5-17-4-1-2-6-20(17)21)14-25-13-12-16-8-10-18(11-9-16)26-23-22(29)27-24(30)32-23/h1-11,19,23,25-26,28H,12-15H2,(H,27,29,30)
InChIKeyXEPWEBSGALYHAC-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'}

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Related Compounds

5-[4-[2-[(2-hydroxy-3-naphthalen-2-yloxypropyl)amino]ethyl]anilino]-1,3-thiazolidine-2,4-dione
CID 10297712
3-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]propanal;propane
CID 155698850
methyl 3-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]propanoate
CID 15578577
1-(3-aminopropylamino)-3-naphthalen-1-yloxypropan-2-ol;hydrochloride
CID 90672311
1-(2-benzhydryloxyethylamino)-3-naphthalen-1-yloxypropan-2-ol
CID 110193984
1-(4-bromoanilino)-3-naphthalen-1-yloxypropan-2-ol
CID 23884461
1-(1-aminoethylamino)-3-naphthalen-1-yloxypropan-2-ol
CID 70482185
4-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]phenol
CID 12541329
1-naphthalen-1-yloxy-3-(2,2,3,3,3-pentafluoropropylamino)propan-2-ol
CID 10066392
N-[4-[2-[[2-hydroxy-3-(2-phenylmethoxyphenoxy)propyl]amino]ethyl]phenyl]naphthalene-2-sulfonamide
CID 19384980
N-[4-[2-[[2-hydroxy-3-(2-phenylmethoxyphenoxy)propyl]amino]ethyl]phenyl]quinoline-8-sulfonamide
CID 19384987
(2R)-1-[4-[(2R)-2-hydroxy-3-(2-phenylethylamino)propoxy]phenoxy]-3-(2-phenylethylamino)propan-2-ol
CID 41066855

Frequently Asked Questions

What is the IUPAC name of 5-[4-[2-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]ethyl]anilino]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 5-[4-[2-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]ethyl]anilino]-1,3-thiazolidine-2,4-dione (CID 10225930) is 5-[4-[2-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]ethyl]anilino]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 5-[4-[2-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]ethyl]anilino]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 5-[4-[2-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]ethyl]anilino]-1,3-thiazolidine-2,4-dione is O=C1NC(=O)C(Nc2ccc(CCNCC(O)COc3cccc4ccccc34)cc2)S1.
What is the InChIKey of 5-[4-[2-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]ethyl]anilino]-1,3-thiazolidine-2,4-dione?
The InChIKey is XEPWEBSGALYHAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O4S/c28-19(15-31-21-7-3-5-17-4-1-2-6-20(17)21)14-25-13-12-16-8-10-18(11-9-16)26-23-22(29)27-24(30)32-23/h1-11,19,23,25-26,28H,12-15H2,(H,27,29,30).
What are the key properties of 5-[4-[2-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]ethyl]anilino]-1,3-thiazolidine-2,4-dione?
5-[4-[2-[(2-hydroxy-3-naphthalen-1-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-1-yloxypropyl)amino]ethyl]anilino]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 10225930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).