2-(4-chlorophenoxy)-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide

C15H10ClFN2O2S — CID 1087154

IUPAC2-(4-chlorophenoxy)-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide
SMILESO=C(COc1ccc(Cl)cc1)Nc1nc2ccc(F)cc2s1
InChIInChI=1S/C15H10ClFN2O2S/c16-9-1-4-11(5-2-9)21-8-14(20)19-15-18-12-6-3-10(17)7-13(12)22-15/h1-7H,8H2,(H,18,19,20)
InChIKeyWDQDUXRLFBZDRQ-UHFFFAOYSA-N
MW336.78 g/mol
LogP4.11
Rot. Bonds4

About 2-(4-chlorophenoxy)-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide

2-(4-chlorophenoxy)-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide (PubChem CID 1087154) has the molecular formula C15H10ClFN2O2S and a molecular weight of 336.78 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide
PubChem CID1087154
Molecular FormulaC15H10ClFN2O2S
Molecular Weight336.78 g/mol
Exact Mass336.01
IUPAC Name2-(4-chlorophenoxy)-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide
SMILESO=C(COc1ccc(Cl)cc1)Nc1nc2ccc(F)cc2s1
InChIInChI=1S/C15H10ClFN2O2S/c16-9-1-4-11(5-2-9)21-8-14(20)19-15-18-12-6-3-10(17)7-13(12)22-15/h1-7H,8H2,(H,18,19,20)
InChIKeyWDQDUXRLFBZDRQ-UHFFFAOYSA-N
XLogP4.11
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.78
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide (CID 1087154) is 2-(4-chlorophenoxy)-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide is O=C(COc1ccc(Cl)cc1)Nc1nc2ccc(F)cc2s1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is WDQDUXRLFBZDRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClFN2O2S/c16-9-1-4-11(5-2-9)21-8-14(20)19-15-18-12-6-3-10(17)7-13(12)22-15/h1-7H,8H2,(H,18,19,20).
What are the key properties of 2-(4-chlorophenoxy)-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide?
2-(4-chlorophenoxy)-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 336.78 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 1087154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).