N-(2,5-difluorophenyl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide

C15H10F2N2O2S — CID 22423083

IUPACN-(2,5-difluorophenyl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide
SMILESO=C(Cn1c(=O)sc2ccccc21)Nc1cc(F)ccc1F
InChIInChI=1S/C15H10F2N2O2S/c16-9-5-6-10(17)11(7-9)18-14(20)8-19-12-3-1-2-4-13(12)22-15(19)21/h1-7H,8H2,(H,18,20)
InChIKeyKLDOCJDRNDPROI-UHFFFAOYSA-N
MW320.32 g/mol
LogP2.98
Rot. Bonds3

About N-(2,5-difluorophenyl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide

N-(2,5-difluorophenyl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide (PubChem CID 22423083) has the molecular formula C15H10F2N2O2S and a molecular weight of 320.32 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide
PubChem CID22423083
Molecular FormulaC15H10F2N2O2S
Molecular Weight320.32 g/mol
Exact Mass320.04
IUPAC NameN-(2,5-difluorophenyl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide
SMILESO=C(Cn1c(=O)sc2ccccc21)Nc1cc(F)ccc1F
InChIInChI=1S/C15H10F2N2O2S/c16-9-5-6-10(17)11(7-9)18-14(20)8-19-12-3-1-2-4-13(12)22-15(19)21/h1-7H,8H2,(H,18,20)
InChIKeyKLDOCJDRNDPROI-UHFFFAOYSA-N
XLogP2.98
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.32
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluorophenyl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide?
The IUPAC name of N-(2,5-difluorophenyl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide (CID 22423083) is N-(2,5-difluorophenyl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide.
What is the SMILES notation for N-(2,5-difluorophenyl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide?
The canonical SMILES for N-(2,5-difluorophenyl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide is O=C(Cn1c(=O)sc2ccccc21)Nc1cc(F)ccc1F.
What is the InChIKey of N-(2,5-difluorophenyl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide?
The InChIKey is KLDOCJDRNDPROI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2N2O2S/c16-9-5-6-10(17)11(7-9)18-14(20)8-19-12-3-1-2-4-13(12)22-15(19)21/h1-7H,8H2,(H,18,20).
What are the key properties of N-(2,5-difluorophenyl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide?
N-(2,5-difluorophenyl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide has a molecular weight of 320.32 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluorophenyl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide is sourced from PubChem (CID 22423083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).