2-phenyl-N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]acetamide

C16H11F3N2OS — CID 77106470

IUPAC2-phenyl-N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]acetamide
SMILESO=C(Cc1ccccc1)Nc1nc2ccc(C(F)(F)F)cc2s1
InChIInChI=1S/C16H11F3N2OS/c17-16(18,19)11-6-7-12-13(9-11)23-15(20-12)21-14(22)8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H,20,21,22)
InChIKeyWYPGOAOLLLOOOT-UHFFFAOYSA-N
MW336.34 g/mol
LogP4.50
Rot. Bonds3

About 2-phenyl-N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]acetamide

2-phenyl-N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]acetamide (PubChem CID 77106470) has the molecular formula C16H11F3N2OS and a molecular weight of 336.34 g/mol. Its IUPAC name is 2-phenyl-N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-phenyl-N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]acetamide
PubChem CID77106470
Molecular FormulaC16H11F3N2OS
Molecular Weight336.34 g/mol
Exact Mass336.05
IUPAC Name2-phenyl-N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]acetamide
SMILESO=C(Cc1ccccc1)Nc1nc2ccc(C(F)(F)F)cc2s1
InChIInChI=1S/C16H11F3N2OS/c17-16(18,19)11-6-7-12-13(9-11)23-15(20-12)21-14(22)8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H,20,21,22)
InChIKeyWYPGOAOLLLOOOT-UHFFFAOYSA-N
XLogP4.50
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.34
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]acetamide?
The IUPAC name of 2-phenyl-N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]acetamide (CID 77106470) is 2-phenyl-N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]acetamide.
What is the SMILES notation for 2-phenyl-N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]acetamide?
The canonical SMILES for 2-phenyl-N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]acetamide is O=C(Cc1ccccc1)Nc1nc2ccc(C(F)(F)F)cc2s1.
What is the InChIKey of 2-phenyl-N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]acetamide?
The InChIKey is WYPGOAOLLLOOOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2OS/c17-16(18,19)11-6-7-12-13(9-11)23-15(20-12)21-14(22)8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H,20,21,22).
What are the key properties of 2-phenyl-N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]acetamide?
2-phenyl-N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]acetamide has a molecular weight of 336.34 g/mol, XLogP of 4.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]acetamide is sourced from PubChem (CID 77106470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).