N-(2-acetamido-1,3-benzothiazol-6-yl)-2-(2,4-difluorophenoxy)acetamide

C17H13F2N3O3S — CID 55969597

IUPACN-(2-acetamido-1,3-benzothiazol-6-yl)-2-(2,4-difluorophenoxy)acetamide
SMILESCC(=O)Nc1nc2ccc(NC(=O)COc3ccc(F)cc3F)cc2s1
InChIInChI=1S/C17H13F2N3O3S/c1-9(23)20-17-22-13-4-3-11(7-15(13)26-17)21-16(24)8-25-14-5-2-10(18)6-12(14)19/h2-7H,8H2,1H3,(H,21,24)(H,20,22,23)
InChIKeyAJTYDYCSTAYEEU-UHFFFAOYSA-N
MW377.37 g/mol
LogP3.55
Rot. Bonds5

About N-(2-acetamido-1,3-benzothiazol-6-yl)-2-(2,4-difluorophenoxy)acetamide

N-(2-acetamido-1,3-benzothiazol-6-yl)-2-(2,4-difluorophenoxy)acetamide (PubChem CID 55969597) has the molecular formula C17H13F2N3O3S and a molecular weight of 377.37 g/mol. Its IUPAC name is N-(2-acetamido-1,3-benzothiazol-6-yl)-2-(2,4-difluorophenoxy)acetamide.

Molecular Properties

Compound NameN-(2-acetamido-1,3-benzothiazol-6-yl)-2-(2,4-difluorophenoxy)acetamide
PubChem CID55969597
Molecular FormulaC17H13F2N3O3S
Molecular Weight377.37 g/mol
Exact Mass377.06
IUPAC NameN-(2-acetamido-1,3-benzothiazol-6-yl)-2-(2,4-difluorophenoxy)acetamide
SMILESCC(=O)Nc1nc2ccc(NC(=O)COc3ccc(F)cc3F)cc2s1
InChIInChI=1S/C17H13F2N3O3S/c1-9(23)20-17-22-13-4-3-11(7-15(13)26-17)21-16(24)8-25-14-5-2-10(18)6-12(14)19/h2-7H,8H2,1H3,(H,21,24)(H,20,22,23)
InChIKeyAJTYDYCSTAYEEU-UHFFFAOYSA-N
XLogP3.55
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.37
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,4-difluorophenoxy)-N-(4-fluorophenyl)acetamide
CID 580280
2-(2-fluorophenoxy)-N-(6-phenoxy-1,3-benzothiazol-2-yl)acetamide
CID 7948442
N-(6-fluoro-1,3-benzothiazol-2-yl)-2-phenoxyacetamide
CID 953564
N-(2-acetamido-1,3-benzothiazol-6-yl)-2-cyanoacetamide
CID 168521756
2-(2-cyanophenoxy)-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide
CID 7733369
2-(2,4-difluorophenoxy)-N-(1,2-oxazol-3-yl)acetamide
CID 17250313
2-(2,4-difluorophenoxy)-N-(3-methyl-2H-indazol-6-yl)acetamide
CID 75397988
N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(5-methyl-2-nitrophenoxy)acetamide
CID 51184950
N-(6-acetamido-1,3-benzothiazol-2-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide
CID 55515416
2-(4-fluorophenoxy)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 16547554
N-(2-acetamido-1,3-benzothiazol-6-yl)-3-(4-ethylphenyl)propanamide
CID 55769442
N-[2-(2-anilino-2-oxoethyl)sulfanyl-1,3-benzothiazol-6-yl]-2-(2-fluorophenoxy)acetamide
CID 46264031

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamido-1,3-benzothiazol-6-yl)-2-(2,4-difluorophenoxy)acetamide?
The IUPAC name of N-(2-acetamido-1,3-benzothiazol-6-yl)-2-(2,4-difluorophenoxy)acetamide (CID 55969597) is N-(2-acetamido-1,3-benzothiazol-6-yl)-2-(2,4-difluorophenoxy)acetamide.
What is the SMILES notation for N-(2-acetamido-1,3-benzothiazol-6-yl)-2-(2,4-difluorophenoxy)acetamide?
The canonical SMILES for N-(2-acetamido-1,3-benzothiazol-6-yl)-2-(2,4-difluorophenoxy)acetamide is CC(=O)Nc1nc2ccc(NC(=O)COc3ccc(F)cc3F)cc2s1.
What is the InChIKey of N-(2-acetamido-1,3-benzothiazol-6-yl)-2-(2,4-difluorophenoxy)acetamide?
The InChIKey is AJTYDYCSTAYEEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2N3O3S/c1-9(23)20-17-22-13-4-3-11(7-15(13)26-17)21-16(24)8-25-14-5-2-10(18)6-12(14)19/h2-7H,8H2,1H3,(H,21,24)(H,20,22,23).
What are the key properties of N-(2-acetamido-1,3-benzothiazol-6-yl)-2-(2,4-difluorophenoxy)acetamide?
N-(2-acetamido-1,3-benzothiazol-6-yl)-2-(2,4-difluorophenoxy)acetamide has a molecular weight of 377.37 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamido-1,3-benzothiazol-6-yl)-2-(2,4-difluorophenoxy)acetamide is sourced from PubChem (CID 55969597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).