2-[(5Z)-5-(9H-fluoren-2-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]isoindole-1,3-dione

C25H14N2O3S2 — CID 10623599

IUPAC2-[(5Z)-5-(9H-fluoren-2-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]isoindole-1,3-dione
SMILESO=C1/C(=C/c2ccc3c(c2)Cc2ccccc2-3)SC(=S)N1N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C25H14N2O3S2/c28-22-19-7-3-4-8-20(19)23(29)26(22)27-24(30)21(32-25(27)31)12-14-9-10-18-16(11-14)13-15-5-1-2-6-17(15)18/h1-12H,13H2/b21-12-
InChIKeyKGHMAIIFZYDLIN-MTJSOVHGSA-N
MW454.53 g/mol
LogP4.67
Rot. Bonds2

About 2-[(5Z)-5-(9H-fluoren-2-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]isoindole-1,3-dione

2-[(5Z)-5-(9H-fluoren-2-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]isoindole-1,3-dione (PubChem CID 10623599) has the molecular formula C25H14N2O3S2 and a molecular weight of 454.53 g/mol. Its IUPAC name is 2-[(5Z)-5-(9H-fluoren-2-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(5Z)-5-(9H-fluoren-2-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]isoindole-1,3-dione
PubChem CID10623599
Molecular FormulaC25H14N2O3S2
Molecular Weight454.53 g/mol
Exact Mass454.04
IUPAC Name2-[(5Z)-5-(9H-fluoren-2-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]isoindole-1,3-dione
SMILESO=C1/C(=C/c2ccc3c(c2)Cc2ccccc2-3)SC(=S)N1N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C25H14N2O3S2/c28-22-19-7-3-4-8-20(19)23(29)26(22)27-24(30)21(32-25(27)31)12-14-9-10-18-16(11-14)13-15-5-1-2-6-17(15)18/h1-12H,13H2/b21-12-
InChIKeyKGHMAIIFZYDLIN-MTJSOVHGSA-N
XLogP4.67
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.53
LogP ≤ 54.67
H-Bond Donors ≤ 50
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': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

(5Z)-5-(9H-fluoren-3-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 167510551
(5Z)-3-[(3-chlorophenyl)methyl]-5-(9H-fluoren-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 46907069
(5E)-5-benzylidene-3-(1,3-dioxoisoindol-2-yl)-1,3-thiazolidine-2,4-dione
CID 26790172
2-(9H-fluoren-2-yl)isoindole-1,3-dione
CID 1331291
3-[(5Z)-4-oxo-5-[(11-oxo-6H-benzo[c][1]benzoxepin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid
CID 18754393
(5E)-3-tert-butyl-5-[(4-phenylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 50872477
1-[(5E)-5-[(3-hydroxy-4-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]pyrrolidine-2,5-dione
CID 1489797
5-benzylidene-3-hydroxy-2-sulfanylidene-1,3-thiazolidin-4-one
CID 155163574
(E)-2-(9H-fluoren-2-yl)ethenesulfonyl chloride
CID 43532194
2-[4-oxo-5-[(1-phenyl-2,3-dihydroindol-5-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
CID 76652371
4-[5-(2,3-dihydro-1H-inden-5-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid
CID 72654898
4-[(Z)-[3-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]benzonitrile
CID 6149366

Frequently Asked Questions

What is the IUPAC name of 2-[(5Z)-5-(9H-fluoren-2-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]isoindole-1,3-dione?
The IUPAC name of 2-[(5Z)-5-(9H-fluoren-2-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]isoindole-1,3-dione (CID 10623599) is 2-[(5Z)-5-(9H-fluoren-2-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]isoindole-1,3-dione.
What is the SMILES notation for 2-[(5Z)-5-(9H-fluoren-2-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]isoindole-1,3-dione?
The canonical SMILES for 2-[(5Z)-5-(9H-fluoren-2-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]isoindole-1,3-dione is O=C1/C(=C/c2ccc3c(c2)Cc2ccccc2-3)SC(=S)N1N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[(5Z)-5-(9H-fluoren-2-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]isoindole-1,3-dione?
The InChIKey is KGHMAIIFZYDLIN-MTJSOVHGSA-N. The full InChI is InChI=1S/C25H14N2O3S2/c28-22-19-7-3-4-8-20(19)23(29)26(22)27-24(30)21(32-25(27)31)12-14-9-10-18-16(11-14)13-15-5-1-2-6-17(15)18/h1-12H,13H2/b21-12-.
What are the key properties of 2-[(5Z)-5-(9H-fluoren-2-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]isoindole-1,3-dione?
2-[(5Z)-5-(9H-fluoren-2-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]isoindole-1,3-dione has a molecular weight of 454.53 g/mol, XLogP of 4.67, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5Z)-5-(9H-fluoren-2-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]isoindole-1,3-dione is sourced from PubChem (CID 10623599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).