(5E)-3-(naphthalen-1-ylmethyl)-5-[(5-nitrofuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione

C19H12N2O5S — CID 21376655

IUPAC(5E)-3-(naphthalen-1-ylmethyl)-5-[(5-nitrofuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1S/C(=C/c2ccc([N+](=O)[O-])o2)C(=O)N1Cc1cccc2ccccc12
InChIInChI=1S/C19H12N2O5S/c22-18-16(10-14-8-9-17(26-14)21(24)25)27-19(23)20(18)11-13-6-3-5-12-4-1-2-7-15(12)13/h1-10H,11H2/b16-10+
InChIKeyXBDIRHXHLHXQNZ-MHWRWJLKSA-N
MW380.38 g/mol
LogP4.58
Rot. Bonds4

About (5E)-3-(naphthalen-1-ylmethyl)-5-[(5-nitrofuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione

(5E)-3-(naphthalen-1-ylmethyl)-5-[(5-nitrofuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 21376655) has the molecular formula C19H12N2O5S and a molecular weight of 380.38 g/mol. Its IUPAC name is (5E)-3-(naphthalen-1-ylmethyl)-5-[(5-nitrofuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-3-(naphthalen-1-ylmethyl)-5-[(5-nitrofuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID21376655
Molecular FormulaC19H12N2O5S
Molecular Weight380.38 g/mol
Exact Mass380.05
IUPAC Name(5E)-3-(naphthalen-1-ylmethyl)-5-[(5-nitrofuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1S/C(=C/c2ccc([N+](=O)[O-])o2)C(=O)N1Cc1cccc2ccccc12
InChIInChI=1S/C19H12N2O5S/c22-18-16(10-14-8-9-17(26-14)21(24)25)27-19(23)20(18)11-13-6-3-5-12-4-1-2-7-15(12)13/h1-10H,11H2/b16-10+
InChIKeyXBDIRHXHLHXQNZ-MHWRWJLKSA-N
XLogP4.58
TPSA93.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.38
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

Analyze (5E)-3-(naphthalen-1-ylmethyl)-5-[(5-nitrofuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5E)-3-(naphthalen-1-ylmethyl)-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 124652595
(5Z)-3-ethyl-5-[(5-nitrofuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 23274908
(5E)-5-[(4-hydroxy-3-nitrophenyl)methylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidine-2,4-dione
CID 21376461
(5E)-5-[(4,5-dimethoxy-2-nitrophenyl)methylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidine-2,4-dione
CID 21376465
(5E)-3-(3-methoxypropyl)-5-[(5-nitrofuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 126252281
5-[(4-methylphenyl)methylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidine-2,4-dione
CID 3486613
methyl 2-methyl-3-[5-[(E)-[3-(naphthalen-1-ylmethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]benzoate
CID 21376963
(5E)-5-[[5-(2-bromo-4-nitrophenyl)furan-2-yl]methylidene]-3-[(2-bromophenyl)methyl]-1,3-thiazolidine-2,4-dione
CID 124667468
(5E)-3-[(3-nitrophenyl)methyl]-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 1316130
3-(hydroxymethyl)-5-[(5-nitrofuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 165343235
(5E)-5-[[3,5-dichloro-4-[(4-nitrophenyl)methoxy]phenyl]methylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidine-2,4-dione
CID 21376752
(5E)-3-[(2-bromophenyl)methyl]-5-[[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 124667446

Frequently Asked Questions

What is the IUPAC name of (5E)-3-(naphthalen-1-ylmethyl)-5-[(5-nitrofuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5E)-3-(naphthalen-1-ylmethyl)-5-[(5-nitrofuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione (CID 21376655) is (5E)-3-(naphthalen-1-ylmethyl)-5-[(5-nitrofuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5E)-3-(naphthalen-1-ylmethyl)-5-[(5-nitrofuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5E)-3-(naphthalen-1-ylmethyl)-5-[(5-nitrofuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione is O=C1S/C(=C/c2ccc([N+](=O)[O-])o2)C(=O)N1Cc1cccc2ccccc12.
What is the InChIKey of (5E)-3-(naphthalen-1-ylmethyl)-5-[(5-nitrofuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is XBDIRHXHLHXQNZ-MHWRWJLKSA-N. The full InChI is InChI=1S/C19H12N2O5S/c22-18-16(10-14-8-9-17(26-14)21(24)25)27-19(23)20(18)11-13-6-3-5-12-4-1-2-7-15(12)13/h1-10H,11H2/b16-10+.
What are the key properties of (5E)-3-(naphthalen-1-ylmethyl)-5-[(5-nitrofuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione?
(5E)-3-(naphthalen-1-ylmethyl)-5-[(5-nitrofuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 380.38 g/mol, XLogP of 4.58, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-3-(naphthalen-1-ylmethyl)-5-[(5-nitrofuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 21376655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).