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

C20H14N2O3S2 — CID 54579058

IUPAC(5Z)-5-[2-(5-methoxy-1H-indol-3-yl)-2-oxoethylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCOc1ccc2[nH]cc(C(=O)/C=C3\SC(=S)N(c4ccccc4)C3=O)c2c1
InChIInChI=1S/C20H14N2O3S2/c1-25-13-7-8-16-14(9-13)15(11-21-16)17(23)10-18-19(24)22(20(26)27-18)12-5-3-2-4-6-12/h2-11,21H,1H3/b18-10-
InChIKeyUDMCBNVBLYTYJC-ZDLGFXPLSA-N
MW394.48 g/mol
LogP4.31
Rot. Bonds4

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

(5Z)-5-[2-(5-methoxy-1H-indol-3-yl)-2-oxoethylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 54579058) has the molecular formula C20H14N2O3S2 and a molecular weight of 394.48 g/mol. Its IUPAC name is (5Z)-5-[2-(5-methoxy-1H-indol-3-yl)-2-oxoethylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[2-(5-methoxy-1H-indol-3-yl)-2-oxoethylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID54579058
Molecular FormulaC20H14N2O3S2
Molecular Weight394.48 g/mol
Exact Mass394.04
IUPAC Name(5Z)-5-[2-(5-methoxy-1H-indol-3-yl)-2-oxoethylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCOc1ccc2[nH]cc(C(=O)/C=C3\SC(=S)N(c4ccccc4)C3=O)c2c1
InChIInChI=1S/C20H14N2O3S2/c1-25-13-7-8-16-14(9-13)15(11-21-16)17(23)10-18-19(24)22(20(26)27-18)12-5-3-2-4-6-12/h2-11,21H,1H3/b18-10-
InChIKeyUDMCBNVBLYTYJC-ZDLGFXPLSA-N
XLogP4.31
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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'}

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Related Compounds

(5Z)-5-[2-(5-methoxy-1H-indol-3-yl)-2-oxoethylidene]-3-(4-methoxyphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 54578838
4-[(5E)-5-[2-(1H-indol-3-yl)-2-oxoethylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzonitrile
CID 71299854
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
(5Z)-5-[(4-methoxyphenyl)methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 6068845
(2E)-2-(4-oxo-3-phenyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)acetic acid
CID 34552324
5-(anthracen-9-ylmethylidene)-3-(4-methoxyphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 3110742
2-[(E)-[3-(4-methoxyphenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]benzoic acid
CID 27410381
5-[[5-methoxy-2-(2-phenoxyethoxy)phenyl]methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 4529782
[4-[(Z)-[3-(4-methoxyphenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]phenyl] 2-iodobenzoate
CID 46495831
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]benzoic acid
CID 2287012
N-benzyl-2-(5-methoxy-1H-indol-3-yl)-2-oxoacetamide
CID 113208378

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[2-(5-methoxy-1H-indol-3-yl)-2-oxoethylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[2-(5-methoxy-1H-indol-3-yl)-2-oxoethylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one (CID 54579058) is (5Z)-5-[2-(5-methoxy-1H-indol-3-yl)-2-oxoethylidene]-3-phenyl-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-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[2-(5-methoxy-1H-indol-3-yl)-2-oxoethylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one is COc1ccc2[nH]cc(C(=O)/C=C3\SC(=S)N(c4ccccc4)C3=O)c2c1.
What is the InChIKey of (5Z)-5-[2-(5-methoxy-1H-indol-3-yl)-2-oxoethylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is UDMCBNVBLYTYJC-ZDLGFXPLSA-N. The full InChI is InChI=1S/C20H14N2O3S2/c1-25-13-7-8-16-14(9-13)15(11-21-16)17(23)10-18-19(24)22(20(26)27-18)12-5-3-2-4-6-12/h2-11,21H,1H3/b18-10-.
What are the key properties of (5Z)-5-[2-(5-methoxy-1H-indol-3-yl)-2-oxoethylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one?
(5Z)-5-[2-(5-methoxy-1H-indol-3-yl)-2-oxoethylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 394.48 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[2-(5-methoxy-1H-indol-3-yl)-2-oxoethylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 54579058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).