(5S)-5-[(2-pentoxyphenyl)methyl]-1,3-thiazolidine-2,4-dione

C15H19NO3S — CID 142938425

IUPAC(5S)-5-[(2-pentoxyphenyl)methyl]-1,3-thiazolidine-2,4-dione
SMILESCCCCCOc1ccccc1C[C@@H]1SC(=O)NC1=O
InChIInChI=1S/C15H19NO3S/c1-2-3-6-9-19-12-8-5-4-7-11(12)10-13-14(17)16-15(18)20-13/h4-5,7-8,13H,2-3,6,9-10H2,1H3,(H,16,17,18)/t13-/m0/s1
InChIKeyUQMHUDJPGZEYFE-ZDUSSCGKSA-N
MW293.39 g/mol
LogP3.15
Rot. Bonds7

About (5S)-5-[(2-pentoxyphenyl)methyl]-1,3-thiazolidine-2,4-dione

(5S)-5-[(2-pentoxyphenyl)methyl]-1,3-thiazolidine-2,4-dione (PubChem CID 142938425) has the molecular formula C15H19NO3S and a molecular weight of 293.39 g/mol. Its IUPAC name is (5S)-5-[(2-pentoxyphenyl)methyl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-[(2-pentoxyphenyl)methyl]-1,3-thiazolidine-2,4-dione
PubChem CID142938425
Molecular FormulaC15H19NO3S
Molecular Weight293.39 g/mol
Exact Mass293.11
IUPAC Name(5S)-5-[(2-pentoxyphenyl)methyl]-1,3-thiazolidine-2,4-dione
SMILESCCCCCOc1ccccc1C[C@@H]1SC(=O)NC1=O
InChIInChI=1S/C15H19NO3S/c1-2-3-6-9-19-12-8-5-4-7-11(12)10-13-14(17)16-15(18)20-13/h4-5,7-8,13H,2-3,6,9-10H2,1H3,(H,16,17,18)/t13-/m0/s1
InChIKeyUQMHUDJPGZEYFE-ZDUSSCGKSA-N
XLogP3.15
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (5S)-5-[(2-pentoxyphenyl)methyl]-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-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]naphthalen-1-yl]oxypentanoic acid;ethane
CID 142911098
1-ethyl-2-heptoxybenzene
CID 22723794
(2-octoxyphenyl)methanol
CID 43128604
5-[[3-bromo-4-(5-hydroxyhex-5-enoxy)naphthalen-1-yl]methyl]-1,3-thiazolidine-2,4-dione
CID 142911285
2-(2-pentoxyphenyl)ethanol
CID 91657515
1-octadecoxy-2-tridecylbenzene
CID 139667656
1-heptyl-2-octadecoxybenzene
CID 139667653
1-butyl-2-nonoxybenzene
CID 118255282
2-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]benzenesulfonamide
CID 154445618
5-[[4-[2-[hexadecyl(pyrimidin-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 139702308
3-(2-pentoxyphenyl)propan-1-ol
CID 82161171
(2-dodecoxyphenyl)methanesulfonic acid
CID 87286295

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[(2-pentoxyphenyl)methyl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5S)-5-[(2-pentoxyphenyl)methyl]-1,3-thiazolidine-2,4-dione (CID 142938425) is (5S)-5-[(2-pentoxyphenyl)methyl]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-[(2-pentoxyphenyl)methyl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5S)-5-[(2-pentoxyphenyl)methyl]-1,3-thiazolidine-2,4-dione is CCCCCOc1ccccc1C[C@@H]1SC(=O)NC1=O.
What is the InChIKey of (5S)-5-[(2-pentoxyphenyl)methyl]-1,3-thiazolidine-2,4-dione?
The InChIKey is UQMHUDJPGZEYFE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H19NO3S/c1-2-3-6-9-19-12-8-5-4-7-11(12)10-13-14(17)16-15(18)20-13/h4-5,7-8,13H,2-3,6,9-10H2,1H3,(H,16,17,18)/t13-/m0/s1.
What are the key properties of (5S)-5-[(2-pentoxyphenyl)methyl]-1,3-thiazolidine-2,4-dione?
(5S)-5-[(2-pentoxyphenyl)methyl]-1,3-thiazolidine-2,4-dione has a molecular weight of 293.39 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(2-pentoxyphenyl)methyl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 142938425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).