(5S)-3-[(4-methoxyphenyl)methyl]-5-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]-2-sulfanylidene-1,3-thiazolidin-4-one

C26H25NO3S2 — CID 126153607

IUPAC(5S)-3-[(4-methoxyphenyl)methyl]-5-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCOc1ccc(CN2C(=O)[C@H](Cc3ccc(OCc4ccc(C)cc4)cc3)SC2=S)cc1
InChIInChI=1S/C26H25NO3S2/c1-18-3-5-21(6-4-18)17-30-23-13-7-19(8-14-23)15-24-25(28)27(26(31)32-24)16-20-9-11-22(29-2)12-10-20/h3-14,24H,15-17H2,1-2H3/t24-/m0/s1
InChIKeyWJVHDZWCIYBCAT-DEOSSOPVSA-N
MW463.62 g/mol
LogP5.55
Rot. Bonds8

About (5S)-3-[(4-methoxyphenyl)methyl]-5-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]-2-sulfanylidene-1,3-thiazolidin-4-one

(5S)-3-[(4-methoxyphenyl)methyl]-5-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 126153607) has the molecular formula C26H25NO3S2 and a molecular weight of 463.62 g/mol. Its IUPAC name is (5S)-3-[(4-methoxyphenyl)methyl]-5-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5S)-3-[(4-methoxyphenyl)methyl]-5-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID126153607
Molecular FormulaC26H25NO3S2
Molecular Weight463.62 g/mol
Exact Mass463.13
IUPAC Name(5S)-3-[(4-methoxyphenyl)methyl]-5-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCOc1ccc(CN2C(=O)[C@H](Cc3ccc(OCc4ccc(C)cc4)cc3)SC2=S)cc1
InChIInChI=1S/C26H25NO3S2/c1-18-3-5-21(6-4-18)17-30-23-13-7-19(8-14-23)15-24-25(28)27(26(31)32-24)16-20-9-11-22(29-2)12-10-20/h3-14,24H,15-17H2,1-2H3/t24-/m0/s1
InChIKeyWJVHDZWCIYBCAT-DEOSSOPVSA-N
XLogP5.55
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.62
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'rhod_sat_A(33)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze (5S)-3-[(4-methoxyphenyl)methyl]-5-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]-2-sulfanylidene-1,3-thiazolidin-4-one 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

(5S)-5-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-3-[(4-fluorophenyl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 126149664
(5R)-5-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-3-[(4-fluorophenyl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 126150202
2-[3-[(4-methoxyphenyl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]acetic acid
CID 72712458
(5S)-5-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]-3-[(4-chlorophenyl)methyl]-1,3-thiazolidine-2,4-dione
CID 126156293
(5R)-5-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]-3-[(4-chlorophenyl)methyl]-1,3-thiazolidine-2,4-dione
CID 126156292
(5R)-5-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-3-(furan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 126150508
(5R)-5-[(2,7-diethoxynaphthalen-1-yl)methyl]-3-[(4-methoxyphenyl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 126168674
(5S)-5-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-3-(furan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 126150504
(5R)-3-[(4-chlorophenyl)methyl]-5-[[4-[(3-methylphenyl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 126148726
(5R)-5-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-3-(3-phenylpropyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 126153870
(5S)-5-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-3-(furan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 126148721
ethane;1-methoxy-4-methylbenzene;1-[(4-methylphenyl)methyl]pyrrole-2,5-dione
CID 144616946

Frequently Asked Questions

What is the IUPAC name of (5S)-3-[(4-methoxyphenyl)methyl]-5-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of (5S)-3-[(4-methoxyphenyl)methyl]-5-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]-2-sulfanylidene-1,3-thiazolidin-4-one (CID 126153607) is (5S)-3-[(4-methoxyphenyl)methyl]-5-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for (5S)-3-[(4-methoxyphenyl)methyl]-5-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for (5S)-3-[(4-methoxyphenyl)methyl]-5-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]-2-sulfanylidene-1,3-thiazolidin-4-one is COc1ccc(CN2C(=O)[C@H](Cc3ccc(OCc4ccc(C)cc4)cc3)SC2=S)cc1.
What is the InChIKey of (5S)-3-[(4-methoxyphenyl)methyl]-5-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is WJVHDZWCIYBCAT-DEOSSOPVSA-N. The full InChI is InChI=1S/C26H25NO3S2/c1-18-3-5-21(6-4-18)17-30-23-13-7-19(8-14-23)15-24-25(28)27(26(31)32-24)16-20-9-11-22(29-2)12-10-20/h3-14,24H,15-17H2,1-2H3/t24-/m0/s1.
What are the key properties of (5S)-3-[(4-methoxyphenyl)methyl]-5-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]-2-sulfanylidene-1,3-thiazolidin-4-one?
(5S)-3-[(4-methoxyphenyl)methyl]-5-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 463.62 g/mol, XLogP of 5.55, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-[(4-methoxyphenyl)methyl]-5-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 126153607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).