[4-[(2R)-3-(4-hydroxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl] 2-[(5R)-2,4-dioxo-1,3-thiazolidin-5-yl]acetate

C20H16N2O6S2 — CID 35581367

IUPAC[4-[(2R)-3-(4-hydroxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl] 2-[(5R)-2,4-dioxo-1,3-thiazolidin-5-yl]acetate
SMILESO=C(C[C@H]1SC(=O)NC1=O)Oc1ccc([C@H]2SCC(=O)N2c2ccc(O)cc2)cc1
InChIInChI=1S/C20H16N2O6S2/c23-13-5-3-12(4-6-13)22-16(24)10-29-19(22)11-1-7-14(8-2-11)28-17(25)9-15-18(26)21-20(27)30-15/h1-8,15,19,23H,9-10H2,(H,21,26,27)/t15-,19-/m1/s1
InChIKeyVGSWBGLPINHSFY-DNVCBOLYSA-N
MW444.49 g/mol
LogP2.82
Rot. Bonds5

About [4-[(2R)-3-(4-hydroxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl] 2-[(5R)-2,4-dioxo-1,3-thiazolidin-5-yl]acetate

[4-[(2R)-3-(4-hydroxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl] 2-[(5R)-2,4-dioxo-1,3-thiazolidin-5-yl]acetate (PubChem CID 35581367) has the molecular formula C20H16N2O6S2 and a molecular weight of 444.49 g/mol. Its IUPAC name is [4-[(2R)-3-(4-hydroxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl] 2-[(5R)-2,4-dioxo-1,3-thiazolidin-5-yl]acetate.

Molecular Properties

Compound Name[4-[(2R)-3-(4-hydroxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl] 2-[(5R)-2,4-dioxo-1,3-thiazolidin-5-yl]acetate
PubChem CID35581367
Molecular FormulaC20H16N2O6S2
Molecular Weight444.49 g/mol
Exact Mass444.04
IUPAC Name[4-[(2R)-3-(4-hydroxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl] 2-[(5R)-2,4-dioxo-1,3-thiazolidin-5-yl]acetate
SMILESO=C(C[C@H]1SC(=O)NC1=O)Oc1ccc([C@H]2SCC(=O)N2c2ccc(O)cc2)cc1
InChIInChI=1S/C20H16N2O6S2/c23-13-5-3-12(4-6-13)22-16(24)10-29-19(22)11-1-7-14(8-2-11)28-17(25)9-15-18(26)21-20(27)30-15/h1-8,15,19,23H,9-10H2,(H,21,26,27)/t15-,19-/m1/s1
InChIKeyVGSWBGLPINHSFY-DNVCBOLYSA-N
XLogP2.82
TPSA113.01 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.49
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

[2-methoxy-4-[3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl] 2-(2,4-dioxo-1,3-thiazolidin-5-yl)acetate
CID 43842437
3-(4-hydroxyphenyl)-2-(4-methylphenyl)-1,3-thiazolidin-4-one
CID 5057465
2-(4-hydroxy-3-methoxyphenyl)-3-(4-hydroxyphenyl)-1,3-thiazolidin-4-one
CID 4914726
N-[4-[(2R)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]adamantane-1-carboxamide
CID 93125674
N-[4-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]phenyl]acetamide
CID 3861297
N-[4-[2-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]phenyl]acetamide
CID 23958782
(2S)-3-(4-phenoxyphenyl)-2-phenyl-1,3-thiazolidin-4-one
CID 6935175
3-(4-iodophenyl)-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one
CID 17384306
3-(4-bromophenyl)-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one
CID 3858882
(2S)-3-[4-[(2S)-4-oxo-2-phenyl-1,3-thiazolidin-3-yl]phenyl]-2-phenyl-1,3-thiazolidin-4-one
CID 1041463
2-[(2E,5S)-2-[[(2S)-2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]imino]-4-oxo-1,3-thiazolidin-5-yl]acetate
CID 135593815
2-(4-methoxyphenyl)-3-phenyl-1,3-thiazolidin-4-one
CID 2839840

Frequently Asked Questions

What is the IUPAC name of [4-[(2R)-3-(4-hydroxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl] 2-[(5R)-2,4-dioxo-1,3-thiazolidin-5-yl]acetate?
The IUPAC name of [4-[(2R)-3-(4-hydroxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl] 2-[(5R)-2,4-dioxo-1,3-thiazolidin-5-yl]acetate (CID 35581367) is [4-[(2R)-3-(4-hydroxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl] 2-[(5R)-2,4-dioxo-1,3-thiazolidin-5-yl]acetate.
What is the SMILES notation for [4-[(2R)-3-(4-hydroxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl] 2-[(5R)-2,4-dioxo-1,3-thiazolidin-5-yl]acetate?
The canonical SMILES for [4-[(2R)-3-(4-hydroxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl] 2-[(5R)-2,4-dioxo-1,3-thiazolidin-5-yl]acetate is O=C(C[C@H]1SC(=O)NC1=O)Oc1ccc([C@H]2SCC(=O)N2c2ccc(O)cc2)cc1.
What is the InChIKey of [4-[(2R)-3-(4-hydroxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl] 2-[(5R)-2,4-dioxo-1,3-thiazolidin-5-yl]acetate?
The InChIKey is VGSWBGLPINHSFY-DNVCBOLYSA-N. The full InChI is InChI=1S/C20H16N2O6S2/c23-13-5-3-12(4-6-13)22-16(24)10-29-19(22)11-1-7-14(8-2-11)28-17(25)9-15-18(26)21-20(27)30-15/h1-8,15,19,23H,9-10H2,(H,21,26,27)/t15-,19-/m1/s1.
What are the key properties of [4-[(2R)-3-(4-hydroxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl] 2-[(5R)-2,4-dioxo-1,3-thiazolidin-5-yl]acetate?
[4-[(2R)-3-(4-hydroxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl] 2-[(5R)-2,4-dioxo-1,3-thiazolidin-5-yl]acetate has a molecular weight of 444.49 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2R)-3-(4-hydroxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl] 2-[(5R)-2,4-dioxo-1,3-thiazolidin-5-yl]acetate is sourced from PubChem (CID 35581367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).