5-[[4-[(2-chloro-5-propan-2-yloxyphenyl)methyl]piperidin-1-yl]methyl]-3-(4-methoxyphenyl)-1,3-thiazolidin-2-one

C26H33ClN2O3S — CID 23029150

IUPAC5-[[4-[(2-chloro-5-propan-2-yloxyphenyl)methyl]piperidin-1-yl]methyl]-3-(4-methoxyphenyl)-1,3-thiazolidin-2-one
SMILESCOc1ccc(N2CC(CN3CCC(Cc4cc(OC(C)C)ccc4Cl)CC3)SC2=O)cc1
InChIInChI=1S/C26H33ClN2O3S/c1-18(2)32-23-8-9-25(27)20(15-23)14-19-10-12-28(13-11-19)16-24-17-29(26(30)33-24)21-4-6-22(31-3)7-5-21/h4-9,15,18-19,24H,10-14,16-17H2,1-3H3
InChIKeyIOOHYRJJECKIPD-UHFFFAOYSA-N
MW489.08 g/mol
LogP6.13
Rot. Bonds8

About 5-[[4-[(2-chloro-5-propan-2-yloxyphenyl)methyl]piperidin-1-yl]methyl]-3-(4-methoxyphenyl)-1,3-thiazolidin-2-one

5-[[4-[(2-chloro-5-propan-2-yloxyphenyl)methyl]piperidin-1-yl]methyl]-3-(4-methoxyphenyl)-1,3-thiazolidin-2-one (PubChem CID 23029150) has the molecular formula C26H33ClN2O3S and a molecular weight of 489.08 g/mol. Its IUPAC name is 5-[[4-[(2-chloro-5-propan-2-yloxyphenyl)methyl]piperidin-1-yl]methyl]-3-(4-methoxyphenyl)-1,3-thiazolidin-2-one.

Molecular Properties

Compound Name5-[[4-[(2-chloro-5-propan-2-yloxyphenyl)methyl]piperidin-1-yl]methyl]-3-(4-methoxyphenyl)-1,3-thiazolidin-2-one
PubChem CID23029150
Molecular FormulaC26H33ClN2O3S
Molecular Weight489.08 g/mol
Exact Mass488.19
IUPAC Name5-[[4-[(2-chloro-5-propan-2-yloxyphenyl)methyl]piperidin-1-yl]methyl]-3-(4-methoxyphenyl)-1,3-thiazolidin-2-one
SMILESCOc1ccc(N2CC(CN3CCC(Cc4cc(OC(C)C)ccc4Cl)CC3)SC2=O)cc1
InChIInChI=1S/C26H33ClN2O3S/c1-18(2)32-23-8-9-25(27)20(15-23)14-19-10-12-28(13-11-19)16-24-17-29(26(30)33-24)21-4-6-22(31-3)7-5-21/h4-9,15,18-19,24H,10-14,16-17H2,1-3H3
InChIKeyIOOHYRJJECKIPD-UHFFFAOYSA-N
XLogP6.13
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.08
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-[[4-[(2-chloro-5-propan-2-yloxyphenyl)methyl]piperidin-1-yl]methyl]-3-(4-methoxyphenyl)-1,3-thiazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[(2-chloro-5-propan-2-yloxyphenyl)methyl]piperidin-1-yl]methyl]-3-(4-methoxyphenyl)-1,3-thiazolidin-2-one?
The IUPAC name of 5-[[4-[(2-chloro-5-propan-2-yloxyphenyl)methyl]piperidin-1-yl]methyl]-3-(4-methoxyphenyl)-1,3-thiazolidin-2-one (CID 23029150) is 5-[[4-[(2-chloro-5-propan-2-yloxyphenyl)methyl]piperidin-1-yl]methyl]-3-(4-methoxyphenyl)-1,3-thiazolidin-2-one.
What is the SMILES notation for 5-[[4-[(2-chloro-5-propan-2-yloxyphenyl)methyl]piperidin-1-yl]methyl]-3-(4-methoxyphenyl)-1,3-thiazolidin-2-one?
The canonical SMILES for 5-[[4-[(2-chloro-5-propan-2-yloxyphenyl)methyl]piperidin-1-yl]methyl]-3-(4-methoxyphenyl)-1,3-thiazolidin-2-one is COc1ccc(N2CC(CN3CCC(Cc4cc(OC(C)C)ccc4Cl)CC3)SC2=O)cc1.
What is the InChIKey of 5-[[4-[(2-chloro-5-propan-2-yloxyphenyl)methyl]piperidin-1-yl]methyl]-3-(4-methoxyphenyl)-1,3-thiazolidin-2-one?
The InChIKey is IOOHYRJJECKIPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33ClN2O3S/c1-18(2)32-23-8-9-25(27)20(15-23)14-19-10-12-28(13-11-19)16-24-17-29(26(30)33-24)21-4-6-22(31-3)7-5-21/h4-9,15,18-19,24H,10-14,16-17H2,1-3H3.
What are the key properties of 5-[[4-[(2-chloro-5-propan-2-yloxyphenyl)methyl]piperidin-1-yl]methyl]-3-(4-methoxyphenyl)-1,3-thiazolidin-2-one?
5-[[4-[(2-chloro-5-propan-2-yloxyphenyl)methyl]piperidin-1-yl]methyl]-3-(4-methoxyphenyl)-1,3-thiazolidin-2-one has a molecular weight of 489.08 g/mol, XLogP of 6.13, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[(2-chloro-5-propan-2-yloxyphenyl)methyl]piperidin-1-yl]methyl]-3-(4-methoxyphenyl)-1,3-thiazolidin-2-one is sourced from PubChem (CID 23029150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).