(5Z)-5-benzylidene-1,3-thiazolidine-2,4-dione

C10H7NO2S — CID 1241442

IUPAC(5Z)-5-benzylidene-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C/c2ccccc2)S1
InChIInChI=1S/C10H7NO2S/c12-9-8(14-10(13)11-9)6-7-4-2-1-3-5-7/h1-6H,(H,11,12,13)/b8-6-
InChIKeySGIZECXZFLAGBW-VURMDHGXSA-N
MW205.24 g/mol
LogP2.01
Rot. Bonds1

About (5Z)-5-benzylidene-1,3-thiazolidine-2,4-dione

(5Z)-5-benzylidene-1,3-thiazolidine-2,4-dione (PubChem CID 1241442) has the molecular formula C10H7NO2S and a molecular weight of 205.24 g/mol. Its IUPAC name is (5Z)-5-benzylidene-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-benzylidene-1,3-thiazolidine-2,4-dione
PubChem CID1241442
Molecular FormulaC10H7NO2S
Molecular Weight205.24 g/mol
Exact Mass205.02
IUPAC Name(5Z)-5-benzylidene-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C/c2ccccc2)S1
InChIInChI=1S/C10H7NO2S/c12-9-8(14-10(13)11-9)6-7-4-2-1-3-5-7/h1-6H,(H,11,12,13)/b8-6-
InChIKeySGIZECXZFLAGBW-VURMDHGXSA-N
XLogP2.01
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.24
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

5-Benzylidenerhodanine
CID 1273210
SMI-4a
CID 1361334
(Z)-5-(4-Fluorobenzylidene)-1,3-thiazolidine-2,4-dione
CID 1239884
5-(4-Ethylbenzylidene)-2-thioxothiazolidin-4-one
CID 1271002
(Z)-5-(3-Fluorobenzylidene)thiazolidine-2,4-dione
CID 1379720
(5Z)-5-[(3-methylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 2243909
(Z)-5-(4-(Trifluoromethyl)benzylidene)thiazolidine-2,4-dione
CID 6006914
5-(4-Fluorobenzylidene)rhodanine
CID 1207359
(5Z)-5-[[3-(Trifluoromethyl)phenyl]methylene]-2,4-thiazolidinedione
CID 2864586
5-{[3-(Trifluoromethyl)phenyl]methylidene}-1,3-thiazolidine-2,4-dione
CID 1361332
5-(3-Bromo-benzylidene)-thiazolidine-2,4-dione
CID 1201119
5-(3-Bromobenzylidene)thiazolidine-2,4-dione
CID 1201120

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-benzylidene-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-benzylidene-1,3-thiazolidine-2,4-dione (CID 1241442) is (5Z)-5-benzylidene-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-benzylidene-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-benzylidene-1,3-thiazolidine-2,4-dione is O=C1NC(=O)/C(=C/c2ccccc2)S1.
What is the InChIKey of (5Z)-5-benzylidene-1,3-thiazolidine-2,4-dione?
The InChIKey is SGIZECXZFLAGBW-VURMDHGXSA-N. The full InChI is InChI=1S/C10H7NO2S/c12-9-8(14-10(13)11-9)6-7-4-2-1-3-5-7/h1-6H,(H,11,12,13)/b8-6-.
What are the key properties of (5Z)-5-benzylidene-1,3-thiazolidine-2,4-dione?
(5Z)-5-benzylidene-1,3-thiazolidine-2,4-dione has a molecular weight of 205.24 g/mol, XLogP of 2.01, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-benzylidene-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 1241442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).