[3-[(Z)-[3-(4-methoxyphenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]phenyl] furan-2-carboxylate

C22H15NO5S2 — CID 2251969

IUPAC[3-[(Z)-[3-(4-methoxyphenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]phenyl] furan-2-carboxylate
SMILESCOc1ccc(N2C(=O)/C(=C/c3cccc(OC(=O)c4ccco4)c3)SC2=S)cc1
InChIInChI=1S/C22H15NO5S2/c1-26-16-9-7-15(8-10-16)23-20(24)19(30-22(23)29)13-14-4-2-5-17(12-14)28-21(25)18-6-3-11-27-18/h2-13H,1H3/b19-13-
InChIKeyPOIKSXABNNNCCL-UYRXBGFRSA-N
MW437.50 g/mol
LogP4.91
Rot. Bonds5

About [3-[(Z)-[3-(4-methoxyphenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]phenyl] furan-2-carboxylate

[3-[(Z)-[3-(4-methoxyphenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]phenyl] furan-2-carboxylate (PubChem CID 2251969) has the molecular formula C22H15NO5S2 and a molecular weight of 437.50 g/mol. Its IUPAC name is [3-[(Z)-[3-(4-methoxyphenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]phenyl] furan-2-carboxylate.

Molecular Properties

Compound Name[3-[(Z)-[3-(4-methoxyphenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]phenyl] furan-2-carboxylate
PubChem CID2251969
Molecular FormulaC22H15NO5S2
Molecular Weight437.50 g/mol
Exact Mass437.04
IUPAC Name[3-[(Z)-[3-(4-methoxyphenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]phenyl] furan-2-carboxylate
SMILESCOc1ccc(N2C(=O)/C(=C/c3cccc(OC(=O)c4ccco4)c3)SC2=S)cc1
InChIInChI=1S/C22H15NO5S2/c1-26-16-9-7-15(8-10-16)23-20(24)19(30-22(23)29)13-14-4-2-5-17(12-14)28-21(25)18-6-3-11-27-18/h2-13H,1H3/b19-13-
InChIKeyPOIKSXABNNNCCL-UYRXBGFRSA-N
XLogP4.91
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_rhod_A(235)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze [3-[(Z)-[3-(4-methoxyphenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]phenyl] furan-2-carboxylate 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

[3-[(Z)-[3-(4-methylphenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]phenyl] furan-2-carboxylate
CID 2181175
3-(4-methoxyphenyl)-5-[(3-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1360445
[3-[(Z)-[3-(4-methoxyphenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]phenyl] 2-iodobenzoate
CID 46495830
[4-[[3-(4-ethylphenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-2-methoxyphenyl] furan-2-carboxylate
CID 1310305
3-[(Z)-[3-(4-methoxyphenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]benzoic acid
CID 2287012
3-[3-[(E)-[3-(4-methoxyphenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]phenoxy]propanoic acid
CID 27413570
(5E)-5-[[3-[2-(4-methoxyphenoxy)ethoxy]phenyl]methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2278045
[2-ethoxy-4-[(E)-(4-oxo-3-phenyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] furan-2-carboxylate
CID 1232667
3-(4-fluorophenyl)-5-[[3-[2-(4-methoxyphenoxy)ethoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2923168
3-(4-butylphenyl)-5-[(3-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 4514380
(5E)-3-(3-methoxyphenyl)-5-[(3-methylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 46666261
methyl 4-[4-oxo-5-[(3-phenylmethoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoate
CID 2791183

Frequently Asked Questions

What is the IUPAC name of [3-[(Z)-[3-(4-methoxyphenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]phenyl] furan-2-carboxylate?
The IUPAC name of [3-[(Z)-[3-(4-methoxyphenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]phenyl] furan-2-carboxylate (CID 2251969) is [3-[(Z)-[3-(4-methoxyphenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]phenyl] furan-2-carboxylate.
What is the SMILES notation for [3-[(Z)-[3-(4-methoxyphenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]phenyl] furan-2-carboxylate?
The canonical SMILES for [3-[(Z)-[3-(4-methoxyphenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]phenyl] furan-2-carboxylate is COc1ccc(N2C(=O)/C(=C/c3cccc(OC(=O)c4ccco4)c3)SC2=S)cc1.
What is the InChIKey of [3-[(Z)-[3-(4-methoxyphenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]phenyl] furan-2-carboxylate?
The InChIKey is POIKSXABNNNCCL-UYRXBGFRSA-N. The full InChI is InChI=1S/C22H15NO5S2/c1-26-16-9-7-15(8-10-16)23-20(24)19(30-22(23)29)13-14-4-2-5-17(12-14)28-21(25)18-6-3-11-27-18/h2-13H,1H3/b19-13-.
What are the key properties of [3-[(Z)-[3-(4-methoxyphenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]phenyl] furan-2-carboxylate?
[3-[(Z)-[3-(4-methoxyphenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]phenyl] furan-2-carboxylate has a molecular weight of 437.50 g/mol, XLogP of 4.91, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(Z)-[3-(4-methoxyphenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]phenyl] furan-2-carboxylate is sourced from PubChem (CID 2251969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).