N-[5-[6-(4-fluoro-3-hydroxyphenoxy)-2-pyridinyl]-1,3-benzothiazol-2-yl]acetamide

C20H14FN3O3S — CID 166636586

IUPACN-[5-[6-(4-fluoro-3-hydroxyphenoxy)-2-pyridinyl]-1,3-benzothiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc2cc(-c3cccc(Oc4ccc(F)c(O)c4)n3)ccc2s1
InChIInChI=1S/C20H14FN3O3S/c1-11(25)22-20-24-16-9-12(5-8-18(16)28-20)15-3-2-4-19(23-15)27-13-6-7-14(21)17(26)10-13/h2-10,26H,1H3,(H,22,24,25)
InChIKeyBOYGYTDMMGTBLE-UHFFFAOYSA-N
MW395.42 g/mol
LogP4.95
Rot. Bonds4

About N-[5-[6-(4-fluoro-3-hydroxyphenoxy)-2-pyridinyl]-1,3-benzothiazol-2-yl]acetamide

N-[5-[6-(4-fluoro-3-hydroxyphenoxy)-2-pyridinyl]-1,3-benzothiazol-2-yl]acetamide (PubChem CID 166636586) has the molecular formula C20H14FN3O3S and a molecular weight of 395.42 g/mol. Its IUPAC name is N-[5-[6-(4-fluoro-3-hydroxyphenoxy)-2-pyridinyl]-1,3-benzothiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[6-(4-fluoro-3-hydroxyphenoxy)-2-pyridinyl]-1,3-benzothiazol-2-yl]acetamide
PubChem CID166636586
Molecular FormulaC20H14FN3O3S
Molecular Weight395.42 g/mol
Exact Mass395.07
IUPAC NameN-[5-[6-(4-fluoro-3-hydroxyphenoxy)-2-pyridinyl]-1,3-benzothiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc2cc(-c3cccc(Oc4ccc(F)c(O)c4)n3)ccc2s1
InChIInChI=1S/C20H14FN3O3S/c1-11(25)22-20-24-16-9-12(5-8-18(16)28-20)15-3-2-4-19(23-15)27-13-6-7-14(21)17(26)10-13/h2-10,26H,1H3,(H,22,24,25)
InChIKeyBOYGYTDMMGTBLE-UHFFFAOYSA-N
XLogP4.95
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-(6-phenoxy-2-pyridinyl)-1,3-benzothiazol-2-yl]acetamide
CID 143757565
2-fluoro-5-[[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]oxy]phenol
CID 166636425
N-[6-(3-chloro-4-fluorophenyl)-1,3-benzothiazol-2-yl]acetamide
CID 132578588
N-[(5-chloro-1,3-benzothiazol-2-yl)carbamoyl]-2,6-difluorobenzamide
CID 19935023
N-[5-(2-amino-1,3-benzoxazol-6-yl)-1,3-benzothiazol-2-yl]acetamide
CID 89212415
N-[6-[2-[(4-methoxyphenyl)methoxy]pyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide
CID 25182867
N-(5-ethoxy-1,3-benzothiazol-2-yl)-3-oxobutanamide
CID 3630759
N-(2-acetamido-1,3-benzothiazol-5-yl)-3-chlorobenzamide
CID 46328625
[2-(ethylcarbamoylamino)-1,3-benzothiazol-5-yl] trifluoromethanesulfonate
CID 59603077
2,6-difluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 741712
N-(2-acetamido-1,3-benzothiazol-5-yl)-2-(4-fluorophenyl)quinoline-4-carboxamide
CID 46328665
2-(2-fluorophenoxy)-N-(6-phenoxy-1,3-benzothiazol-2-yl)acetamide
CID 7948442

Frequently Asked Questions

What is the IUPAC name of N-[5-[6-(4-fluoro-3-hydroxyphenoxy)-2-pyridinyl]-1,3-benzothiazol-2-yl]acetamide?
The IUPAC name of N-[5-[6-(4-fluoro-3-hydroxyphenoxy)-2-pyridinyl]-1,3-benzothiazol-2-yl]acetamide (CID 166636586) is N-[5-[6-(4-fluoro-3-hydroxyphenoxy)-2-pyridinyl]-1,3-benzothiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[6-(4-fluoro-3-hydroxyphenoxy)-2-pyridinyl]-1,3-benzothiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[6-(4-fluoro-3-hydroxyphenoxy)-2-pyridinyl]-1,3-benzothiazol-2-yl]acetamide is CC(=O)Nc1nc2cc(-c3cccc(Oc4ccc(F)c(O)c4)n3)ccc2s1.
What is the InChIKey of N-[5-[6-(4-fluoro-3-hydroxyphenoxy)-2-pyridinyl]-1,3-benzothiazol-2-yl]acetamide?
The InChIKey is BOYGYTDMMGTBLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN3O3S/c1-11(25)22-20-24-16-9-12(5-8-18(16)28-20)15-3-2-4-19(23-15)27-13-6-7-14(21)17(26)10-13/h2-10,26H,1H3,(H,22,24,25).
What are the key properties of N-[5-[6-(4-fluoro-3-hydroxyphenoxy)-2-pyridinyl]-1,3-benzothiazol-2-yl]acetamide?
N-[5-[6-(4-fluoro-3-hydroxyphenoxy)-2-pyridinyl]-1,3-benzothiazol-2-yl]acetamide has a molecular weight of 395.42 g/mol, XLogP of 4.95, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[6-(4-fluoro-3-hydroxyphenoxy)-2-pyridinyl]-1,3-benzothiazol-2-yl]acetamide is sourced from PubChem (CID 166636586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).