2-amino-5-[[2-(naphthalen-1-ylmethoxy)naphthalen-1-yl]methylidene]-1,3-thiazol-4-one

C25H18N2O2S — CID 3689488

IUPAC2-amino-5-[[2-(naphthalen-1-ylmethoxy)naphthalen-1-yl]methylidene]-1,3-thiazol-4-one
SMILESNC1=NC(=O)C(=Cc2c(OCc3cccc4ccccc34)ccc3ccccc23)S1
InChIInChI=1S/C25H18N2O2S/c26-25-27-24(28)23(30-25)14-21-20-11-4-2-7-17(20)12-13-22(21)29-15-18-9-5-8-16-6-1-3-10-19(16)18/h1-14H,15H2,(H2,26,27,28)
InChIKeyDINCSJDOBKQPKA-UHFFFAOYSA-N
MW410.50 g/mol
LogP5.50
Rot. Bonds4

About 2-amino-5-[[2-(naphthalen-1-ylmethoxy)naphthalen-1-yl]methylidene]-1,3-thiazol-4-one

2-amino-5-[[2-(naphthalen-1-ylmethoxy)naphthalen-1-yl]methylidene]-1,3-thiazol-4-one (PubChem CID 3689488) has the molecular formula C25H18N2O2S and a molecular weight of 410.50 g/mol. Its IUPAC name is 2-amino-5-[[2-(naphthalen-1-ylmethoxy)naphthalen-1-yl]methylidene]-1,3-thiazol-4-one.

Molecular Properties

Compound Name2-amino-5-[[2-(naphthalen-1-ylmethoxy)naphthalen-1-yl]methylidene]-1,3-thiazol-4-one
PubChem CID3689488
Molecular FormulaC25H18N2O2S
Molecular Weight410.50 g/mol
Exact Mass410.11
IUPAC Name2-amino-5-[[2-(naphthalen-1-ylmethoxy)naphthalen-1-yl]methylidene]-1,3-thiazol-4-one
SMILESNC1=NC(=O)C(=Cc2c(OCc3cccc4ccccc34)ccc3ccccc23)S1
InChIInChI=1S/C25H18N2O2S/c26-25-27-24(28)23(30-25)14-21-20-11-4-2-7-17(20)12-13-22(21)29-15-18-9-5-8-16-6-1-3-10-19(16)18/h1-14H,15H2,(H2,26,27,28)
InChIKeyDINCSJDOBKQPKA-UHFFFAOYSA-N
XLogP5.50
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.50
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_B(90)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-amino-5-[[2-(naphthalen-1-ylmethoxy)naphthalen-1-yl]methylidene]-1,3-thiazol-4-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[[2-(naphthalen-1-ylmethoxy)naphthalen-1-yl]methylidene]-1,3-thiazol-4-one?
The IUPAC name of 2-amino-5-[[2-(naphthalen-1-ylmethoxy)naphthalen-1-yl]methylidene]-1,3-thiazol-4-one (CID 3689488) is 2-amino-5-[[2-(naphthalen-1-ylmethoxy)naphthalen-1-yl]methylidene]-1,3-thiazol-4-one.
What is the SMILES notation for 2-amino-5-[[2-(naphthalen-1-ylmethoxy)naphthalen-1-yl]methylidene]-1,3-thiazol-4-one?
The canonical SMILES for 2-amino-5-[[2-(naphthalen-1-ylmethoxy)naphthalen-1-yl]methylidene]-1,3-thiazol-4-one is NC1=NC(=O)C(=Cc2c(OCc3cccc4ccccc34)ccc3ccccc23)S1.
What is the InChIKey of 2-amino-5-[[2-(naphthalen-1-ylmethoxy)naphthalen-1-yl]methylidene]-1,3-thiazol-4-one?
The InChIKey is DINCSJDOBKQPKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N2O2S/c26-25-27-24(28)23(30-25)14-21-20-11-4-2-7-17(20)12-13-22(21)29-15-18-9-5-8-16-6-1-3-10-19(16)18/h1-14H,15H2,(H2,26,27,28).
What are the key properties of 2-amino-5-[[2-(naphthalen-1-ylmethoxy)naphthalen-1-yl]methylidene]-1,3-thiazol-4-one?
2-amino-5-[[2-(naphthalen-1-ylmethoxy)naphthalen-1-yl]methylidene]-1,3-thiazol-4-one has a molecular weight of 410.50 g/mol, XLogP of 5.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[[2-(naphthalen-1-ylmethoxy)naphthalen-1-yl]methylidene]-1,3-thiazol-4-one is sourced from PubChem (CID 3689488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).