(5Z)-5-[[1-[2-(2-prop-2-enylphenoxy)ethyl]indol-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

C23H20N2O2S2 — CID 1362252

IUPAC(5Z)-5-[[1-[2-(2-prop-2-enylphenoxy)ethyl]indol-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESC=CCc1ccccc1OCCn1cc(/C=C2\SC(=S)NC2=O)c2ccccc21
InChIInChI=1S/C23H20N2O2S2/c1-2-7-16-8-3-6-11-20(16)27-13-12-25-15-17(18-9-4-5-10-19(18)25)14-21-22(26)24-23(28)29-21/h2-6,8-11,14-15H,1,7,12-13H2,(H,24,26,28)/b21-14-
InChIKeyRGWZQVXFLPNQOU-STZFKDTASA-N
MW420.56 g/mol
LogP4.94
Rot. Bonds7

About (5Z)-5-[[1-[2-(2-prop-2-enylphenoxy)ethyl]indol-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

(5Z)-5-[[1-[2-(2-prop-2-enylphenoxy)ethyl]indol-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 1362252) has the molecular formula C23H20N2O2S2 and a molecular weight of 420.56 g/mol. Its IUPAC name is (5Z)-5-[[1-[2-(2-prop-2-enylphenoxy)ethyl]indol-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[[1-[2-(2-prop-2-enylphenoxy)ethyl]indol-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID1362252
Molecular FormulaC23H20N2O2S2
Molecular Weight420.56 g/mol
Exact Mass420.10
IUPAC Name(5Z)-5-[[1-[2-(2-prop-2-enylphenoxy)ethyl]indol-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESC=CCc1ccccc1OCCn1cc(/C=C2\SC(=S)NC2=O)c2ccccc21
InChIInChI=1S/C23H20N2O2S2/c1-2-7-16-8-3-6-11-20(16)27-13-12-25-15-17(18-9-4-5-10-19(18)25)14-21-22(26)24-23(28)29-21/h2-6,8-11,14-15H,1,7,12-13H2,(H,24,26,28)/b21-14-
InChIKeyRGWZQVXFLPNQOU-STZFKDTASA-N
XLogP4.94
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[[1-[2-(2-fluorophenoxy)ethyl]indol-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2885260
3-ethyl-5-[[1-[2-(2-prop-2-enylphenoxy)ethyl]indol-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2888595
5-[[1-[2-(2,6-dimethylphenoxy)ethyl]indol-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2895103
(5E)-5-[[1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]indol-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 50850975
(5E)-5-[[1-[2-(3-methoxyphenoxy)ethyl]indol-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1352124
5-[[5-methyl-2-[2-(2-prop-2-enylphenoxy)ethoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2926460
(5E)-5-[[1-[(4-methylphenyl)methyl]indol-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2278163
N-(furan-2-ylmethyl)-2-[3-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]indol-1-yl]acetamide
CID 1321903
(5E)-3-methyl-5-[[1-(2-phenoxyethyl)indol-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 6372897
5-[[2-[(2-bromophenyl)methoxy]-4-(2-carbazol-9-ylethoxy)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 76609085
(5Z)-5-[[1-[2-(2-methoxyphenoxy)ethyl]indol-3-yl]methylidene]-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 126133171
(5Z)-5-[[2-[(2-methylphenyl)methoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 16634000

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[1-[2-(2-prop-2-enylphenoxy)ethyl]indol-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[[1-[2-(2-prop-2-enylphenoxy)ethyl]indol-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (CID 1362252) is (5Z)-5-[[1-[2-(2-prop-2-enylphenoxy)ethyl]indol-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[[1-[2-(2-prop-2-enylphenoxy)ethyl]indol-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[[1-[2-(2-prop-2-enylphenoxy)ethyl]indol-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is C=CCc1ccccc1OCCn1cc(/C=C2\SC(=S)NC2=O)c2ccccc21.
What is the InChIKey of (5Z)-5-[[1-[2-(2-prop-2-enylphenoxy)ethyl]indol-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is RGWZQVXFLPNQOU-STZFKDTASA-N. The full InChI is InChI=1S/C23H20N2O2S2/c1-2-7-16-8-3-6-11-20(16)27-13-12-25-15-17(18-9-4-5-10-19(18)25)14-21-22(26)24-23(28)29-21/h2-6,8-11,14-15H,1,7,12-13H2,(H,24,26,28)/b21-14-.
What are the key properties of (5Z)-5-[[1-[2-(2-prop-2-enylphenoxy)ethyl]indol-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
(5Z)-5-[[1-[2-(2-prop-2-enylphenoxy)ethyl]indol-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 420.56 g/mol, XLogP of 4.94, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[1-[2-(2-prop-2-enylphenoxy)ethyl]indol-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 1362252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).