2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-N-(2-fluorophenyl)acetamide

C17H15FN2O2S2 — CID 1035056

IUPAC2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-N-(2-fluorophenyl)acetamide
SMILESCCOc1ccc2nc(SCC(=O)Nc3ccccc3F)sc2c1
InChIInChI=1S/C17H15FN2O2S2/c1-2-22-11-7-8-14-15(9-11)24-17(20-14)23-10-16(21)19-13-6-4-3-5-12(13)18/h3-9H,2,10H2,1H3,(H,19,21)
InChIKeyZQLUAKGIYAIRTC-UHFFFAOYSA-N
MW362.45 g/mol
LogP4.56
Rot. Bonds6

About 2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-N-(2-fluorophenyl)acetamide

2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-N-(2-fluorophenyl)acetamide (PubChem CID 1035056) has the molecular formula C17H15FN2O2S2 and a molecular weight of 362.45 g/mol. Its IUPAC name is 2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-N-(2-fluorophenyl)acetamide
PubChem CID1035056
Molecular FormulaC17H15FN2O2S2
Molecular Weight362.45 g/mol
Exact Mass362.06
IUPAC Name2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-N-(2-fluorophenyl)acetamide
SMILESCCOc1ccc2nc(SCC(=O)Nc3ccccc3F)sc2c1
InChIInChI=1S/C17H15FN2O2S2/c1-2-22-11-7-8-14-15(9-11)24-17(20-14)23-10-16(21)19-13-6-4-3-5-12(13)18/h3-9H,2,10H2,1H3,(H,19,21)
InChIKeyZQLUAKGIYAIRTC-UHFFFAOYSA-N
XLogP4.56
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-N-(2-fluorophenyl)acetamide 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-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-N-(2-fluorophenyl)acetamide?
The IUPAC name of 2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-N-(2-fluorophenyl)acetamide (CID 1035056) is 2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-N-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-N-(2-fluorophenyl)acetamide is CCOc1ccc2nc(SCC(=O)Nc3ccccc3F)sc2c1.
What is the InChIKey of 2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-N-(2-fluorophenyl)acetamide?
The InChIKey is ZQLUAKGIYAIRTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O2S2/c1-2-22-11-7-8-14-15(9-11)24-17(20-14)23-10-16(21)19-13-6-4-3-5-12(13)18/h3-9H,2,10H2,1H3,(H,19,21).
What are the key properties of 2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-N-(2-fluorophenyl)acetamide?
2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-N-(2-fluorophenyl)acetamide has a molecular weight of 362.45 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-N-(2-fluorophenyl)acetamide is sourced from PubChem (CID 1035056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).