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

C15H11NO2S — CID 56950307

IUPAC(5Z)-5-(1-naphthalen-2-ylethylidene)-1,3-thiazolidine-2,4-dione
SMILESC/C(=C1/SC(=O)NC1=O)c1ccc2ccccc2c1
InChIInChI=1S/C15H11NO2S/c1-9(13-14(17)16-15(18)19-13)11-7-6-10-4-2-3-5-12(10)8-11/h2-8H,1H3,(H,16,17,18)/b13-9-
InChIKeyPUNWYNVSBRXNJZ-LCYFTJDESA-N
MW269.33 g/mol
LogP3.55
Rot. Bonds1

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

(5Z)-5-(1-naphthalen-2-ylethylidene)-1,3-thiazolidine-2,4-dione (PubChem CID 56950307) has the molecular formula C15H11NO2S and a molecular weight of 269.33 g/mol. Its IUPAC name is (5Z)-5-(1-naphthalen-2-ylethylidene)-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-(1-naphthalen-2-ylethylidene)-1,3-thiazolidine-2,4-dione
PubChem CID56950307
Molecular FormulaC15H11NO2S
Molecular Weight269.33 g/mol
Exact Mass269.05
IUPAC Name(5Z)-5-(1-naphthalen-2-ylethylidene)-1,3-thiazolidine-2,4-dione
SMILESC/C(=C1/SC(=O)NC1=O)c1ccc2ccccc2c1
InChIInChI=1S/C15H11NO2S/c1-9(13-14(17)16-15(18)19-13)11-7-6-10-4-2-3-5-12(10)8-11/h2-8H,1H3,(H,16,17,18)/b13-9-
InChIKeyPUNWYNVSBRXNJZ-LCYFTJDESA-N
XLogP3.55
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 53.55
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

(5Z)-5-[(3-methylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 2243909
5-(4-Ethylbenzylidene)-1,3-thiazolidine-2,4-dione
CID 1206018
(5Z)-5-{[4-(propan-2-yl)phenyl]methylidene}-1,3-thiazolidine-2,4-dione
CID 1379638
5-Naphthalen-2-ylmethylene-2-thioxo-thiazolidin-4-one
CID 5757257
(5Z)-5-(naphthalen-1-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 6056260
5-(Naphthylmethylene)-2-thioxo-1,3-thiazolidin-4-one
CID 1526876
5-(2-Naphthalenylmethyl)-2,4-thiazolidinedione
CID 44280082
(5Z)-3-methyl-5-(naphthalen-2-ylmethylidene)-2-thioxo-1,3-thiazolidin-4-one
CID 2262352
(5Z)-5-(naphthalen-2-ylmethylidene)-1,3-thiazinane-2,4-dione
CID 76320798
(5E)-2-imino-5-(naphthalen-2-ylmethylidene)-1,3-thiazolidin-4-one
CID 137630384
(5Z)-5-[[4-[4-(1-naphthyl)phenyl]phenyl]methylene]thiazolidine-2,4-dione
CID 168273357
(5Z)-5-(anthracen-9-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 5896893

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-(1-naphthalen-2-ylethylidene)-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-(1-naphthalen-2-ylethylidene)-1,3-thiazolidine-2,4-dione (CID 56950307) is (5Z)-5-(1-naphthalen-2-ylethylidene)-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-(1-naphthalen-2-ylethylidene)-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-(1-naphthalen-2-ylethylidene)-1,3-thiazolidine-2,4-dione is C/C(=C1/SC(=O)NC1=O)c1ccc2ccccc2c1.
What is the InChIKey of (5Z)-5-(1-naphthalen-2-ylethylidene)-1,3-thiazolidine-2,4-dione?
The InChIKey is PUNWYNVSBRXNJZ-LCYFTJDESA-N. The full InChI is InChI=1S/C15H11NO2S/c1-9(13-14(17)16-15(18)19-13)11-7-6-10-4-2-3-5-12(10)8-11/h2-8H,1H3,(H,16,17,18)/b13-9-.
What are the key properties of (5Z)-5-(1-naphthalen-2-ylethylidene)-1,3-thiazolidine-2,4-dione?
(5Z)-5-(1-naphthalen-2-ylethylidene)-1,3-thiazolidine-2,4-dione has a molecular weight of 269.33 g/mol, XLogP of 3.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-(1-naphthalen-2-ylethylidene)-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 56950307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).