(5Z)-5-[2-(5-methoxy-1H-indol-3-yl)-2-oxoethylidene]-3-(4-methoxyphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one

C21H16N2O4S2 — CID 54578838

IUPAC(5Z)-5-[2-(5-methoxy-1H-indol-3-yl)-2-oxoethylidene]-3-(4-methoxyphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCOc1ccc(N2C(=O)/C(=C/C(=O)c3c[nH]c4ccc(OC)cc34)SC2=S)cc1
InChIInChI=1S/C21H16N2O4S2/c1-26-13-5-3-12(4-6-13)23-20(25)19(29-21(23)28)10-18(24)16-11-22-17-8-7-14(27-2)9-15(16)17/h3-11,22H,1-2H3/b19-10-
InChIKeyFIOIJPJZGMFXHW-GRSHGNNSSA-N
MW424.50 g/mol
LogP4.32
Rot. Bonds5

About (5Z)-5-[2-(5-methoxy-1H-indol-3-yl)-2-oxoethylidene]-3-(4-methoxyphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one

(5Z)-5-[2-(5-methoxy-1H-indol-3-yl)-2-oxoethylidene]-3-(4-methoxyphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 54578838) has the molecular formula C21H16N2O4S2 and a molecular weight of 424.50 g/mol. Its IUPAC name is (5Z)-5-[2-(5-methoxy-1H-indol-3-yl)-2-oxoethylidene]-3-(4-methoxyphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[2-(5-methoxy-1H-indol-3-yl)-2-oxoethylidene]-3-(4-methoxyphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID54578838
Molecular FormulaC21H16N2O4S2
Molecular Weight424.50 g/mol
Exact Mass424.06
IUPAC Name(5Z)-5-[2-(5-methoxy-1H-indol-3-yl)-2-oxoethylidene]-3-(4-methoxyphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCOc1ccc(N2C(=O)/C(=C/C(=O)c3c[nH]c4ccc(OC)cc34)SC2=S)cc1
InChIInChI=1S/C21H16N2O4S2/c1-26-13-5-3-12(4-6-13)23-20(25)19(29-21(23)28)10-18(24)16-11-22-17-8-7-14(27-2)9-15(16)17/h3-11,22H,1-2H3/b19-10-
InChIKeyFIOIJPJZGMFXHW-GRSHGNNSSA-N
XLogP4.32
TPSA71.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (5Z)-5-[2-(5-methoxy-1H-indol-3-yl)-2-oxoethylidene]-3-(4-methoxyphenyl)-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

(5Z)-5-[2-(5-methoxy-1H-indol-3-yl)-2-oxoethylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 54579058
4-[(5E)-5-[2-(1H-indol-3-yl)-2-oxoethylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzonitrile
CID 71299854
2-(5-methoxy-1H-indol-3-yl)-2-oxoacetaldehyde
CID 50901388
bis((5Z)-3-(1,3-benzothiazol-6-yl)-5-[2-(1H-indol-3-yl)-2-oxoethylidene]-2-sulfanylidene-1,3-thiazolidin-4-one);(5Z)-5-[2-(5-chloro-1H-indol-3-yl)-2-oxoethylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one;(5Z)-5-[2-(1H-indol-3-yl)-2-oxoethylidene]-3-(4-methylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one;methane
CID 158380964
5-(anthracen-9-ylmethylidene)-3-(4-methoxyphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 3110742
3-(4-methoxyphenyl)-5-[(3-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1360445
2-[(E)-[3-(4-methoxyphenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]benzoic acid
CID 27410381
(5-methoxy-1H-indol-3-yl)-(4-methoxyphenyl)methanone
CID 43340483
3-[(Z)-[3-(4-methoxyphenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]benzoic acid
CID 2287012
5-[(4-methoxyphenyl)methylidene]-3-(4-methylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 590895
5-[(3,4-dimethoxyphenyl)methylidene]-3-(4-methoxyphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1377003
(5Z)-5-[(2,4-dimethoxyphenyl)methylidene]-3-(4-fluorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1328790

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[2-(5-methoxy-1H-indol-3-yl)-2-oxoethylidene]-3-(4-methoxyphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[2-(5-methoxy-1H-indol-3-yl)-2-oxoethylidene]-3-(4-methoxyphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one (CID 54578838) is (5Z)-5-[2-(5-methoxy-1H-indol-3-yl)-2-oxoethylidene]-3-(4-methoxyphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[2-(5-methoxy-1H-indol-3-yl)-2-oxoethylidene]-3-(4-methoxyphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[2-(5-methoxy-1H-indol-3-yl)-2-oxoethylidene]-3-(4-methoxyphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one is COc1ccc(N2C(=O)/C(=C/C(=O)c3c[nH]c4ccc(OC)cc34)SC2=S)cc1.
What is the InChIKey of (5Z)-5-[2-(5-methoxy-1H-indol-3-yl)-2-oxoethylidene]-3-(4-methoxyphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is FIOIJPJZGMFXHW-GRSHGNNSSA-N. The full InChI is InChI=1S/C21H16N2O4S2/c1-26-13-5-3-12(4-6-13)23-20(25)19(29-21(23)28)10-18(24)16-11-22-17-8-7-14(27-2)9-15(16)17/h3-11,22H,1-2H3/b19-10-.
What are the key properties of (5Z)-5-[2-(5-methoxy-1H-indol-3-yl)-2-oxoethylidene]-3-(4-methoxyphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one?
(5Z)-5-[2-(5-methoxy-1H-indol-3-yl)-2-oxoethylidene]-3-(4-methoxyphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 424.50 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[2-(5-methoxy-1H-indol-3-yl)-2-oxoethylidene]-3-(4-methoxyphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 54578838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).