N-(3-ethyl-4-fluoro-1,3-benzothiazol-2-ylidene)-2-phenoxyacetamide

C17H15FN2O2S — CID 2151173

IUPACN-(3-ethyl-4-fluoro-1,3-benzothiazol-2-ylidene)-2-phenoxyacetamide
SMILESCCn1/c(=N/C(=O)COc2ccccc2)sc2cccc(F)c21
InChIInChI=1S/C17H15FN2O2S/c1-2-20-16-13(18)9-6-10-14(16)23-17(20)19-15(21)11-22-12-7-4-3-5-8-12/h3-10H,2,11H2,1H3/b19-17-
InChIKeyCSYIXNKHTBXUIO-ZPHPHTNESA-N
MW330.38 g/mol
LogP3.37
Rot. Bonds4

About N-(3-ethyl-4-fluoro-1,3-benzothiazol-2-ylidene)-2-phenoxyacetamide

N-(3-ethyl-4-fluoro-1,3-benzothiazol-2-ylidene)-2-phenoxyacetamide (PubChem CID 2151173) has the molecular formula C17H15FN2O2S and a molecular weight of 330.38 g/mol. Its IUPAC name is N-(3-ethyl-4-fluoro-1,3-benzothiazol-2-ylidene)-2-phenoxyacetamide.

Molecular Properties

Compound NameN-(3-ethyl-4-fluoro-1,3-benzothiazol-2-ylidene)-2-phenoxyacetamide
PubChem CID2151173
Molecular FormulaC17H15FN2O2S
Molecular Weight330.38 g/mol
Exact Mass330.08
IUPAC NameN-(3-ethyl-4-fluoro-1,3-benzothiazol-2-ylidene)-2-phenoxyacetamide
SMILESCCn1/c(=N/C(=O)COc2ccccc2)sc2cccc(F)c21
InChIInChI=1S/C17H15FN2O2S/c1-2-20-16-13(18)9-6-10-14(16)23-17(20)19-15(21)11-22-12-7-4-3-5-8-12/h3-10H,2,11H2,1H3/b19-17-
InChIKeyCSYIXNKHTBXUIO-ZPHPHTNESA-N
XLogP3.37
TPSA43.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-(3-ethyl-4-fluoro-1,3-benzothiazol-2-ylidene)-2-phenoxyacetamide 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 N-(3-ethyl-4-fluoro-1,3-benzothiazol-2-ylidene)-2-phenoxyacetamide?
The IUPAC name of N-(3-ethyl-4-fluoro-1,3-benzothiazol-2-ylidene)-2-phenoxyacetamide (CID 2151173) is N-(3-ethyl-4-fluoro-1,3-benzothiazol-2-ylidene)-2-phenoxyacetamide.
What is the SMILES notation for N-(3-ethyl-4-fluoro-1,3-benzothiazol-2-ylidene)-2-phenoxyacetamide?
The canonical SMILES for N-(3-ethyl-4-fluoro-1,3-benzothiazol-2-ylidene)-2-phenoxyacetamide is CCn1/c(=N/C(=O)COc2ccccc2)sc2cccc(F)c21.
What is the InChIKey of N-(3-ethyl-4-fluoro-1,3-benzothiazol-2-ylidene)-2-phenoxyacetamide?
The InChIKey is CSYIXNKHTBXUIO-ZPHPHTNESA-N. The full InChI is InChI=1S/C17H15FN2O2S/c1-2-20-16-13(18)9-6-10-14(16)23-17(20)19-15(21)11-22-12-7-4-3-5-8-12/h3-10H,2,11H2,1H3/b19-17-.
What are the key properties of N-(3-ethyl-4-fluoro-1,3-benzothiazol-2-ylidene)-2-phenoxyacetamide?
N-(3-ethyl-4-fluoro-1,3-benzothiazol-2-ylidene)-2-phenoxyacetamide has a molecular weight of 330.38 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-4-fluoro-1,3-benzothiazol-2-ylidene)-2-phenoxyacetamide is sourced from PubChem (CID 2151173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).