(5Z)-5-[1-[(2-fluorophenyl)methyl]-2-oxoindol-3-ylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

C18H11FN2O2S2 — CID 3135127

IUPAC(5Z)-5-[1-[(2-fluorophenyl)methyl]-2-oxoindol-3-ylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESO=C1NC(=S)S/C1=C1\C(=O)N(Cc2ccccc2F)c2ccccc21
InChIInChI=1S/C18H11FN2O2S2/c19-12-7-3-1-5-10(12)9-21-13-8-4-2-6-11(13)14(17(21)23)15-16(22)20-18(24)25-15/h1-8H,9H2,(H,20,22,24)/b15-14-
InChIKeyNOZCWDQAKKYYBI-PFONDFGASA-N
MW370.43 g/mol
LogP3.23
Rot. Bonds2

About (5Z)-5-[1-[(2-fluorophenyl)methyl]-2-oxoindol-3-ylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

(5Z)-5-[1-[(2-fluorophenyl)methyl]-2-oxoindol-3-ylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 3135127) has the molecular formula C18H11FN2O2S2 and a molecular weight of 370.43 g/mol. Its IUPAC name is (5Z)-5-[1-[(2-fluorophenyl)methyl]-2-oxoindol-3-ylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[1-[(2-fluorophenyl)methyl]-2-oxoindol-3-ylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID3135127
Molecular FormulaC18H11FN2O2S2
Molecular Weight370.43 g/mol
Exact Mass370.02
IUPAC Name(5Z)-5-[1-[(2-fluorophenyl)methyl]-2-oxoindol-3-ylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESO=C1NC(=S)S/C1=C1\C(=O)N(Cc2ccccc2F)c2ccccc21
InChIInChI=1S/C18H11FN2O2S2/c19-12-7-3-1-5-10(12)9-21-13-8-4-2-6-11(13)14(17(21)23)15-16(22)20-18(24)25-15/h1-8H,9H2,(H,20,22,24)/b15-14-
InChIKeyNOZCWDQAKKYYBI-PFONDFGASA-N
XLogP3.23
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[1-[(2-fluorophenyl)methyl]-2-oxoindol-3-ylidene]-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

2-[(3Z)-3-[3-(carboxymethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-2-oxoindol-1-yl]acetic acid
CID 1594408
2-[(5E)-4-oxo-5-[2-oxo-1-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]indol-3-ylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonic acid
CID 1596318
(3Z)-3-[3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]-1-ethyl-1,3-dihydro-2H-indol-2-one
CID 1903933
[(3Z)-2-oxo-3-(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)-2,3-dihydro-1H-indol-1-yl]acetic acid
CID 1360475
2-[(5Z)-5-[1-[2-(3-methylanilino)-2-oxoethyl]-2-oxoindol-3-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
CID 5942185
(3Z)-3-[3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]-1-propyl-1,3-dihydro-2H-indol-2-one
CID 1560604
2-[(5E)-5-[1-[(4-fluorophenyl)methyl]-2-oxoindol-3-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonic acid
CID 1602611
(5Z)-5-[1-(4-methylphenyl)sulfonyl-2-oxoindol-3-ylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1922475
(5Z)-5-(1-ethyl-2-oxoindol-3-ylidene)-3-(3-methoxypropyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1960010
2-[(3Z)-3-[3-(1,1-dioxothiolan-3-yl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-2-oxoindol-1-yl]-N-(4-fluorophenyl)acetamide
CID 5905253
(2Z)-3-[3-(diethylamino)propyl]-5-[(3,4-difluorophenyl)methylidene]-2-(5-fluoro-2-oxo-1H-indol-3-ylidene)-1,3-thiazolidin-4-one
CID 57397270
(2Z)-3-[3-(diethylamino)propyl]-5-[(3,4-difluorophenyl)methylidene]-2-(6-fluoro-2-oxo-1H-indol-3-ylidene)-1,3-thiazolidin-4-one
CID 57400669

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[1-[(2-fluorophenyl)methyl]-2-oxoindol-3-ylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[1-[(2-fluorophenyl)methyl]-2-oxoindol-3-ylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (CID 3135127) is (5Z)-5-[1-[(2-fluorophenyl)methyl]-2-oxoindol-3-ylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[1-[(2-fluorophenyl)methyl]-2-oxoindol-3-ylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[1-[(2-fluorophenyl)methyl]-2-oxoindol-3-ylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is O=C1NC(=S)S/C1=C1\C(=O)N(Cc2ccccc2F)c2ccccc21.
What is the InChIKey of (5Z)-5-[1-[(2-fluorophenyl)methyl]-2-oxoindol-3-ylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is NOZCWDQAKKYYBI-PFONDFGASA-N. The full InChI is InChI=1S/C18H11FN2O2S2/c19-12-7-3-1-5-10(12)9-21-13-8-4-2-6-11(13)14(17(21)23)15-16(22)20-18(24)25-15/h1-8H,9H2,(H,20,22,24)/b15-14-.
What are the key properties of (5Z)-5-[1-[(2-fluorophenyl)methyl]-2-oxoindol-3-ylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
(5Z)-5-[1-[(2-fluorophenyl)methyl]-2-oxoindol-3-ylidene]-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 370.43 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[1-[(2-fluorophenyl)methyl]-2-oxoindol-3-ylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 3135127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).