N-[3-(2-ethoxyethyl)-4,6-difluoro-1,3-benzothiazol-2-ylidene]-2-naphthalen-1-ylacetamide

C23H20F2N2O2S — CID 3430387

IUPACN-[3-(2-ethoxyethyl)-4,6-difluoro-1,3-benzothiazol-2-ylidene]-2-naphthalen-1-ylacetamide
SMILESCCOCCn1/c(=N/C(=O)Cc2cccc3ccccc23)sc2cc(F)cc(F)c21
InChIInChI=1S/C23H20F2N2O2S/c1-2-29-11-10-27-22-19(25)13-17(24)14-20(22)30-23(27)26-21(28)12-16-8-5-7-15-6-3-4-9-18(15)16/h3-9,13-14H,2,10-12H2,1H3/b26-23-
InChIKeyYKEZKEKRESOWIH-RWEWTDSWSA-N
MW426.49 g/mol
LogP4.84
Rot. Bonds6

About N-[3-(2-ethoxyethyl)-4,6-difluoro-1,3-benzothiazol-2-ylidene]-2-naphthalen-1-ylacetamide

N-[3-(2-ethoxyethyl)-4,6-difluoro-1,3-benzothiazol-2-ylidene]-2-naphthalen-1-ylacetamide (PubChem CID 3430387) has the molecular formula C23H20F2N2O2S and a molecular weight of 426.49 g/mol. Its IUPAC name is N-[3-(2-ethoxyethyl)-4,6-difluoro-1,3-benzothiazol-2-ylidene]-2-naphthalen-1-ylacetamide.

Molecular Properties

Compound NameN-[3-(2-ethoxyethyl)-4,6-difluoro-1,3-benzothiazol-2-ylidene]-2-naphthalen-1-ylacetamide
PubChem CID3430387
Molecular FormulaC23H20F2N2O2S
Molecular Weight426.49 g/mol
Exact Mass426.12
IUPAC NameN-[3-(2-ethoxyethyl)-4,6-difluoro-1,3-benzothiazol-2-ylidene]-2-naphthalen-1-ylacetamide
SMILESCCOCCn1/c(=N/C(=O)Cc2cccc3ccccc23)sc2cc(F)cc(F)c21
InChIInChI=1S/C23H20F2N2O2S/c1-2-29-11-10-27-22-19(25)13-17(24)14-20(22)30-23(27)26-21(28)12-16-8-5-7-15-6-3-4-9-18(15)16/h3-9,13-14H,2,10-12H2,1H3/b26-23-
InChIKeyYKEZKEKRESOWIH-RWEWTDSWSA-N
XLogP4.84
TPSA43.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.49
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[3-(2-ethoxyethyl)-4,6-difluoro-1,3-benzothiazol-2-ylidene]-2-naphthalen-1-ylacetamide 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

2-(4-chlorophenyl)-N-[3-(2-ethoxyethyl)-4,6-difluoro-1,3-benzothiazol-2-ylidene]acetamide
CID 16912309
N-[3-(2-ethoxyethyl)-4,6-difluoro-1,3-benzothiazol-2-ylidene]-2-(4-methylsulfanylphenyl)acetamide
CID 42525090
N-[3-(2-ethoxyethyl)-4,6-difluoro-1,3-benzothiazol-2-ylidene]-3-phenoxypropanamide
CID 5084718
N-[4-fluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-naphthalen-1-ylacetamide
CID 4085704
2-benzylsulfonyl-N-[3-(2-ethoxyethyl)-4,6-difluoro-1,3-benzothiazol-2-ylidene]acetamide
CID 42523730
4-(benzenesulfonyl)-N-[3-(2-ethoxyethyl)-4,6-difluoro-1,3-benzothiazol-2-ylidene]butanamide
CID 25406920
(E)-N-[3-(2-ethoxyethyl)-4,6-difluoro-1,3-benzothiazol-2-ylidene]-3-phenylprop-2-enamide
CID 40927847
N-[3-(2-ethoxyethyl)-4,6-difluoro-1,3-benzothiazol-2-ylidene]-3-phenylprop-2-enamide
CID 3654209
N-[3-(2-ethoxyethyl)-4,6-difluoro-1,3-benzothiazol-2-ylidene]thiophene-2-carboxamide
CID 4594721
N-[3-(2-ethoxyethyl)-4-fluoro-1,3-benzothiazol-2-ylidene]-2-(2,4,6-trimethylphenyl)acetamide
CID 41343045
(E)-N-[3-(2-ethoxyethyl)-4,6-difluoro-1,3-benzothiazol-2-ylidene]-3-thiophen-2-ylprop-2-enamide
CID 7141537
N-[4,6-difluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-(3-methoxyphenyl)acetamide
CID 16912465

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-ethoxyethyl)-4,6-difluoro-1,3-benzothiazol-2-ylidene]-2-naphthalen-1-ylacetamide?
The IUPAC name of N-[3-(2-ethoxyethyl)-4,6-difluoro-1,3-benzothiazol-2-ylidene]-2-naphthalen-1-ylacetamide (CID 3430387) is N-[3-(2-ethoxyethyl)-4,6-difluoro-1,3-benzothiazol-2-ylidene]-2-naphthalen-1-ylacetamide.
What is the SMILES notation for N-[3-(2-ethoxyethyl)-4,6-difluoro-1,3-benzothiazol-2-ylidene]-2-naphthalen-1-ylacetamide?
The canonical SMILES for N-[3-(2-ethoxyethyl)-4,6-difluoro-1,3-benzothiazol-2-ylidene]-2-naphthalen-1-ylacetamide is CCOCCn1/c(=N/C(=O)Cc2cccc3ccccc23)sc2cc(F)cc(F)c21.
What is the InChIKey of N-[3-(2-ethoxyethyl)-4,6-difluoro-1,3-benzothiazol-2-ylidene]-2-naphthalen-1-ylacetamide?
The InChIKey is YKEZKEKRESOWIH-RWEWTDSWSA-N. The full InChI is InChI=1S/C23H20F2N2O2S/c1-2-29-11-10-27-22-19(25)13-17(24)14-20(22)30-23(27)26-21(28)12-16-8-5-7-15-6-3-4-9-18(15)16/h3-9,13-14H,2,10-12H2,1H3/b26-23-.
What are the key properties of N-[3-(2-ethoxyethyl)-4,6-difluoro-1,3-benzothiazol-2-ylidene]-2-naphthalen-1-ylacetamide?
N-[3-(2-ethoxyethyl)-4,6-difluoro-1,3-benzothiazol-2-ylidene]-2-naphthalen-1-ylacetamide has a molecular weight of 426.49 g/mol, XLogP of 4.84, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-ethoxyethyl)-4,6-difluoro-1,3-benzothiazol-2-ylidene]-2-naphthalen-1-ylacetamide is sourced from PubChem (CID 3430387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).