N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-(3-methoxyphenoxy)acetamide

C16H12F2N2O3S — CID 43989031

IUPACN-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-(3-methoxyphenoxy)acetamide
SMILESCOc1cccc(OCC(=O)Nc2nc3c(F)cc(F)cc3s2)c1
InChIInChI=1S/C16H12F2N2O3S/c1-22-10-3-2-4-11(7-10)23-8-14(21)19-16-20-15-12(18)5-9(17)6-13(15)24-16/h2-7H,8H2,1H3,(H,19,20,21)
InChIKeyAVYYZUOFWWOEAY-UHFFFAOYSA-N
MW350.35 g/mol
LogP3.60
Rot. Bonds5

About N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-(3-methoxyphenoxy)acetamide

N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-(3-methoxyphenoxy)acetamide (PubChem CID 43989031) has the molecular formula C16H12F2N2O3S and a molecular weight of 350.35 g/mol. Its IUPAC name is N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-(3-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-(3-methoxyphenoxy)acetamide
PubChem CID43989031
Molecular FormulaC16H12F2N2O3S
Molecular Weight350.35 g/mol
Exact Mass350.05
IUPAC NameN-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-(3-methoxyphenoxy)acetamide
SMILESCOc1cccc(OCC(=O)Nc2nc3c(F)cc(F)cc3s2)c1
InChIInChI=1S/C16H12F2N2O3S/c1-22-10-3-2-4-11(7-10)23-8-14(21)19-16-20-15-12(18)5-9(17)6-13(15)24-16/h2-7H,8H2,1H3,(H,19,20,21)
InChIKeyAVYYZUOFWWOEAY-UHFFFAOYSA-N
XLogP3.60
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.35
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-(3-methoxyphenyl)acetamide
CID 16911522
N-(4,6-difluoro-1,3-benzothiazol-2-yl)-3-methoxybenzamide
CID 5131349
N-(4-bromo-1,3-benzothiazol-2-yl)-2-(3-methoxyphenoxy)acetamide
CID 43989482
N-(4,6-difluoro-1,3-benzothiazol-2-yl)-3-(3-methoxyphenyl)prop-2-enamide
CID 3560638
N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-(2-phenylphenoxy)acetamide
CID 7948603
2-(3,4-dimethylphenoxy)-N-(4-fluoro-1,3-benzothiazol-2-yl)acetamide
CID 53269358
N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2,5-dimethoxybenzamide
CID 16848813
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(3-phenoxyphenoxy)acetamide
CID 2347857
2-(4-fluorophenoxy)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 16547554
2-(3-methoxyphenoxy)-N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)acetamide
CID 90601766
N-(4-fluoro-1,3-benzothiazol-2-yl)-2-methoxyacetamide
CID 53269300
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-(3-methoxyphenoxy)acetamide
CID 84559858

Frequently Asked Questions

What is the IUPAC name of N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-(3-methoxyphenoxy)acetamide?
The IUPAC name of N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-(3-methoxyphenoxy)acetamide (CID 43989031) is N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-(3-methoxyphenoxy)acetamide.
What is the SMILES notation for N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-(3-methoxyphenoxy)acetamide?
The canonical SMILES for N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-(3-methoxyphenoxy)acetamide is COc1cccc(OCC(=O)Nc2nc3c(F)cc(F)cc3s2)c1.
What is the InChIKey of N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-(3-methoxyphenoxy)acetamide?
The InChIKey is AVYYZUOFWWOEAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N2O3S/c1-22-10-3-2-4-11(7-10)23-8-14(21)19-16-20-15-12(18)5-9(17)6-13(15)24-16/h2-7H,8H2,1H3,(H,19,20,21).
What are the key properties of N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-(3-methoxyphenoxy)acetamide?
N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-(3-methoxyphenoxy)acetamide has a molecular weight of 350.35 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-(3-methoxyphenoxy)acetamide is sourced from PubChem (CID 43989031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).