(5Z)-5-[[6-[(3-aminophenyl)methoxy]naphthalen-2-yl]methylidene]-1,3-thiazolidine-2,4-dione

C21H16N2O3S — CID 23356927

IUPAC(5Z)-5-[[6-[(3-aminophenyl)methoxy]naphthalen-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESNc1cccc(COc2ccc3cc(/C=C4\SC(=O)NC4=O)ccc3c2)c1
InChIInChI=1S/C21H16N2O3S/c22-17-3-1-2-14(9-17)12-26-18-7-6-15-8-13(4-5-16(15)11-18)10-19-20(24)23-21(25)27-19/h1-11H,12,22H2,(H,23,24,25)/b19-10-
InChIKeyVFTUVELVXUOZFF-GRSHGNNSSA-N
MW376.44 g/mol
LogP4.32
Rot. Bonds4

About (5Z)-5-[[6-[(3-aminophenyl)methoxy]naphthalen-2-yl]methylidene]-1,3-thiazolidine-2,4-dione

(5Z)-5-[[6-[(3-aminophenyl)methoxy]naphthalen-2-yl]methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 23356927) has the molecular formula C21H16N2O3S and a molecular weight of 376.44 g/mol. Its IUPAC name is (5Z)-5-[[6-[(3-aminophenyl)methoxy]naphthalen-2-yl]methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[[6-[(3-aminophenyl)methoxy]naphthalen-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID23356927
Molecular FormulaC21H16N2O3S
Molecular Weight376.44 g/mol
Exact Mass376.09
IUPAC Name(5Z)-5-[[6-[(3-aminophenyl)methoxy]naphthalen-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESNc1cccc(COc2ccc3cc(/C=C4\SC(=O)NC4=O)ccc3c2)c1
InChIInChI=1S/C21H16N2O3S/c22-17-3-1-2-14(9-17)12-26-18-7-6-15-8-13(4-5-16(15)11-18)10-19-20(24)23-21(25)27-19/h1-11H,12,22H2,(H,23,24,25)/b19-10-
InChIKeyVFTUVELVXUOZFF-GRSHGNNSSA-N
XLogP4.32
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'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-[[6-[(3-aminophenyl)methoxy]naphthalen-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[[6-[(3-aminophenyl)methoxy]naphthalen-2-yl]methylidene]-1,3-thiazolidine-2,4-dione (CID 23356927) is (5Z)-5-[[6-[(3-aminophenyl)methoxy]naphthalen-2-yl]methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[[6-[(3-aminophenyl)methoxy]naphthalen-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[[6-[(3-aminophenyl)methoxy]naphthalen-2-yl]methylidene]-1,3-thiazolidine-2,4-dione is Nc1cccc(COc2ccc3cc(/C=C4\SC(=O)NC4=O)ccc3c2)c1.
What is the InChIKey of (5Z)-5-[[6-[(3-aminophenyl)methoxy]naphthalen-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is VFTUVELVXUOZFF-GRSHGNNSSA-N. The full InChI is InChI=1S/C21H16N2O3S/c22-17-3-1-2-14(9-17)12-26-18-7-6-15-8-13(4-5-16(15)11-18)10-19-20(24)23-21(25)27-19/h1-11H,12,22H2,(H,23,24,25)/b19-10-.
What are the key properties of (5Z)-5-[[6-[(3-aminophenyl)methoxy]naphthalen-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
(5Z)-5-[[6-[(3-aminophenyl)methoxy]naphthalen-2-yl]methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 376.44 g/mol, XLogP of 4.32, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[6-[(3-aminophenyl)methoxy]naphthalen-2-yl]methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 23356927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).