N-(2-anilino-1,3-benzothiazol-4-yl)-2-(3,5-difluorophenyl)acetamide

C21H15F2N3OS — CID 24759814

IUPACN-(2-anilino-1,3-benzothiazol-4-yl)-2-(3,5-difluorophenyl)acetamide
SMILESO=C(Cc1cc(F)cc(F)c1)Nc1cccc2sc(Nc3ccccc3)nc12
InChIInChI=1S/C21H15F2N3OS/c22-14-9-13(10-15(23)12-14)11-19(27)25-17-7-4-8-18-20(17)26-21(28-18)24-16-5-2-1-3-6-16/h1-10,12H,11H2,(H,24,26)(H,25,27)
InChIKeyCDBALJJHVDEXTE-UHFFFAOYSA-N
MW395.43 g/mol
LogP5.50
Rot. Bonds5

About N-(2-anilino-1,3-benzothiazol-4-yl)-2-(3,5-difluorophenyl)acetamide

N-(2-anilino-1,3-benzothiazol-4-yl)-2-(3,5-difluorophenyl)acetamide (PubChem CID 24759814) has the molecular formula C21H15F2N3OS and a molecular weight of 395.43 g/mol. Its IUPAC name is N-(2-anilino-1,3-benzothiazol-4-yl)-2-(3,5-difluorophenyl)acetamide.

Molecular Properties

Compound NameN-(2-anilino-1,3-benzothiazol-4-yl)-2-(3,5-difluorophenyl)acetamide
PubChem CID24759814
Molecular FormulaC21H15F2N3OS
Molecular Weight395.43 g/mol
Exact Mass395.09
IUPAC NameN-(2-anilino-1,3-benzothiazol-4-yl)-2-(3,5-difluorophenyl)acetamide
SMILESO=C(Cc1cc(F)cc(F)c1)Nc1cccc2sc(Nc3ccccc3)nc12
InChIInChI=1S/C21H15F2N3OS/c22-14-9-13(10-15(23)12-14)11-19(27)25-17-7-4-8-18-20(17)26-21(28-18)24-16-5-2-1-3-6-16/h1-10,12H,11H2,(H,24,26)(H,25,27)
InChIKeyCDBALJJHVDEXTE-UHFFFAOYSA-N
XLogP5.50
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.43
LogP ≤ 55.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-anilino-1,3-benzothiazol-4-yl)-2-(3,5-difluorophenyl)acetamide?
The IUPAC name of N-(2-anilino-1,3-benzothiazol-4-yl)-2-(3,5-difluorophenyl)acetamide (CID 24759814) is N-(2-anilino-1,3-benzothiazol-4-yl)-2-(3,5-difluorophenyl)acetamide.
What is the SMILES notation for N-(2-anilino-1,3-benzothiazol-4-yl)-2-(3,5-difluorophenyl)acetamide?
The canonical SMILES for N-(2-anilino-1,3-benzothiazol-4-yl)-2-(3,5-difluorophenyl)acetamide is O=C(Cc1cc(F)cc(F)c1)Nc1cccc2sc(Nc3ccccc3)nc12.
What is the InChIKey of N-(2-anilino-1,3-benzothiazol-4-yl)-2-(3,5-difluorophenyl)acetamide?
The InChIKey is CDBALJJHVDEXTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F2N3OS/c22-14-9-13(10-15(23)12-14)11-19(27)25-17-7-4-8-18-20(17)26-21(28-18)24-16-5-2-1-3-6-16/h1-10,12H,11H2,(H,24,26)(H,25,27).
What are the key properties of N-(2-anilino-1,3-benzothiazol-4-yl)-2-(3,5-difluorophenyl)acetamide?
N-(2-anilino-1,3-benzothiazol-4-yl)-2-(3,5-difluorophenyl)acetamide has a molecular weight of 395.43 g/mol, XLogP of 5.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-anilino-1,3-benzothiazol-4-yl)-2-(3,5-difluorophenyl)acetamide is sourced from PubChem (CID 24759814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).