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

C14H9NO2S — CID 6056260

IUPAC(5Z)-5-(naphthalen-1-ylmethylidene)-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C/c2cccc3ccccc23)S1
InChIInChI=1S/C14H9NO2S/c16-13-12(18-14(17)15-13)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-8H,(H,15,16,17)/b12-8-
InChIKeyWMHVUSFNJBJQQB-WQLSENKSSA-N
MW255.30 g/mol
LogP3.16
Rot. Bonds1

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

(5Z)-5-(naphthalen-1-ylmethylidene)-1,3-thiazolidine-2,4-dione (PubChem CID 6056260) has the molecular formula C14H9NO2S and a molecular weight of 255.30 g/mol. Its IUPAC name is (5Z)-5-(naphthalen-1-ylmethylidene)-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-(naphthalen-1-ylmethylidene)-1,3-thiazolidine-2,4-dione
PubChem CID6056260
Molecular FormulaC14H9NO2S
Molecular Weight255.30 g/mol
Exact Mass255.04
IUPAC Name(5Z)-5-(naphthalen-1-ylmethylidene)-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C/c2cccc3ccccc23)S1
InChIInChI=1S/C14H9NO2S/c16-13-12(18-14(17)15-13)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-8H,(H,15,16,17)/b12-8-
InChIKeyWMHVUSFNJBJQQB-WQLSENKSSA-N
XLogP3.16
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 53.16
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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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-(naphthalen-1-ylmethylidene)-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-(naphthalen-1-ylmethylidene)-1,3-thiazolidine-2,4-dione (CID 6056260) is (5Z)-5-(naphthalen-1-ylmethylidene)-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-(naphthalen-1-ylmethylidene)-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-(naphthalen-1-ylmethylidene)-1,3-thiazolidine-2,4-dione is O=C1NC(=O)/C(=C/c2cccc3ccccc23)S1.
What is the InChIKey of (5Z)-5-(naphthalen-1-ylmethylidene)-1,3-thiazolidine-2,4-dione?
The InChIKey is WMHVUSFNJBJQQB-WQLSENKSSA-N. The full InChI is InChI=1S/C14H9NO2S/c16-13-12(18-14(17)15-13)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-8H,(H,15,16,17)/b12-8-.
What are the key properties of (5Z)-5-(naphthalen-1-ylmethylidene)-1,3-thiazolidine-2,4-dione?
(5Z)-5-(naphthalen-1-ylmethylidene)-1,3-thiazolidine-2,4-dione has a molecular weight of 255.30 g/mol, XLogP of 3.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-(naphthalen-1-ylmethylidene)-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 6056260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).