2-(2-fluorophenoxy)-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)acetamide

C16H13FN2O2S2 — CID 2121814

IUPAC2-(2-fluorophenoxy)-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)acetamide
SMILESCSc1nc2ccc(NC(=O)COc3ccccc3F)cc2s1
InChIInChI=1S/C16H13FN2O2S2/c1-22-16-19-12-7-6-10(8-14(12)23-16)18-15(20)9-21-13-5-3-2-4-11(13)17/h2-8H,9H2,1H3,(H,18,20)
InChIKeyHSLAECVGQBWLSE-UHFFFAOYSA-N
MW348.42 g/mol
LogP4.17
Rot. Bonds5

About 2-(2-fluorophenoxy)-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)acetamide

2-(2-fluorophenoxy)-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)acetamide (PubChem CID 2121814) has the molecular formula C16H13FN2O2S2 and a molecular weight of 348.42 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)acetamide.

Molecular Properties

Compound Name2-(2-fluorophenoxy)-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)acetamide
PubChem CID2121814
Molecular FormulaC16H13FN2O2S2
Molecular Weight348.42 g/mol
Exact Mass348.04
IUPAC Name2-(2-fluorophenoxy)-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)acetamide
SMILESCSc1nc2ccc(NC(=O)COc3ccccc3F)cc2s1
InChIInChI=1S/C16H13FN2O2S2/c1-22-16-19-12-7-6-10(8-14(12)23-16)18-15(20)9-21-13-5-3-2-4-11(13)17/h2-8H,9H2,1H3,(H,18,20)
InChIKeyHSLAECVGQBWLSE-UHFFFAOYSA-N
XLogP4.17
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)acetamide?
The IUPAC name of 2-(2-fluorophenoxy)-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)acetamide (CID 2121814) is 2-(2-fluorophenoxy)-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)acetamide.
What is the SMILES notation for 2-(2-fluorophenoxy)-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)acetamide?
The canonical SMILES for 2-(2-fluorophenoxy)-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)acetamide is CSc1nc2ccc(NC(=O)COc3ccccc3F)cc2s1.
What is the InChIKey of 2-(2-fluorophenoxy)-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)acetamide?
The InChIKey is HSLAECVGQBWLSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O2S2/c1-22-16-19-12-7-6-10(8-14(12)23-16)18-15(20)9-21-13-5-3-2-4-11(13)17/h2-8H,9H2,1H3,(H,18,20).
What are the key properties of 2-(2-fluorophenoxy)-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)acetamide?
2-(2-fluorophenoxy)-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)acetamide has a molecular weight of 348.42 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)acetamide is sourced from PubChem (CID 2121814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).