N-(5-fluoro-1,3-benzothiazol-2-yl)-2-phenoxy-N-(pyridin-3-ylmethyl)acetamide

C21H16FN3O2S — CID 162380507

IUPACN-(5-fluoro-1,3-benzothiazol-2-yl)-2-phenoxy-N-(pyridin-3-ylmethyl)acetamide
SMILESO=C(COc1ccccc1)N(Cc1cccnc1)c1nc2cc(F)ccc2s1
InChIInChI=1S/C21H16FN3O2S/c22-16-8-9-19-18(11-16)24-21(28-19)25(13-15-5-4-10-23-12-15)20(26)14-27-17-6-2-1-3-7-17/h1-12H,13-14H2
InChIKeyFPEKLWRJGKYTIE-UHFFFAOYSA-N
MW393.44 g/mol
LogP4.44
Rot. Bonds6

About N-(5-fluoro-1,3-benzothiazol-2-yl)-2-phenoxy-N-(pyridin-3-ylmethyl)acetamide

N-(5-fluoro-1,3-benzothiazol-2-yl)-2-phenoxy-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 162380507) has the molecular formula C21H16FN3O2S and a molecular weight of 393.44 g/mol. Its IUPAC name is N-(5-fluoro-1,3-benzothiazol-2-yl)-2-phenoxy-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound NameN-(5-fluoro-1,3-benzothiazol-2-yl)-2-phenoxy-N-(pyridin-3-ylmethyl)acetamide
PubChem CID162380507
Molecular FormulaC21H16FN3O2S
Molecular Weight393.44 g/mol
Exact Mass393.09
IUPAC NameN-(5-fluoro-1,3-benzothiazol-2-yl)-2-phenoxy-N-(pyridin-3-ylmethyl)acetamide
SMILESO=C(COc1ccccc1)N(Cc1cccnc1)c1nc2cc(F)ccc2s1
InChIInChI=1S/C21H16FN3O2S/c22-16-8-9-19-18(11-16)24-21(28-19)25(13-15-5-4-10-23-12-15)20(26)14-27-17-6-2-1-3-7-17/h1-12H,13-14H2
InChIKeyFPEKLWRJGKYTIE-UHFFFAOYSA-N
XLogP4.44
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-fluorophenoxy)-N-(pyridin-3-ylmethyl)acetamide
CID 43966768
N-(6-chloro-1,3-benzothiazol-2-yl)-2-(4-fluorophenoxy)-N-(pyridin-3-ylmethyl)acetamide
CID 43966767
N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylphenoxy)-N-(pyridin-3-ylmethyl)acetamide
CID 43966724
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-phenoxy-N-(pyridin-3-ylmethyl)acetamide
CID 40508156
N-(5-fluoro-1,3-benzothiazol-2-yl)-3-phenoxy-N-(pyridin-4-ylmethyl)propanamide
CID 162380437
N-(1,3-benzothiazol-2-yl)-2-(4-methylphenoxy)-N-(pyridin-3-ylmethyl)acetamide
CID 43967194
N-(1,3-benzothiazol-2-yl)-N-[(4-fluorophenyl)methyl]-2-phenoxyacetamide
CID 163718990
N-(1,3-benzothiazol-2-yl)-2-(3-methoxyphenoxy)-N-(pyridin-3-ylmethyl)acetamide
CID 43966667
N-(1,3-benzothiazol-2-yl)-2-(3-methylphenoxy)-N-(pyridin-3-ylmethyl)acetamide
CID 43967171
N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(4-fluorophenoxy)-N-(pyridin-3-ylmethyl)acetamide
CID 43966778
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(2-fluorophenoxy)-N-(pyridin-3-ylmethyl)acetamide
CID 43966744
N-(4-fluorophenyl)-2-phenoxy-N-(pyridin-3-ylmethyl)acetamide
CID 13304879

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-1,3-benzothiazol-2-yl)-2-phenoxy-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of N-(5-fluoro-1,3-benzothiazol-2-yl)-2-phenoxy-N-(pyridin-3-ylmethyl)acetamide (CID 162380507) is N-(5-fluoro-1,3-benzothiazol-2-yl)-2-phenoxy-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for N-(5-fluoro-1,3-benzothiazol-2-yl)-2-phenoxy-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for N-(5-fluoro-1,3-benzothiazol-2-yl)-2-phenoxy-N-(pyridin-3-ylmethyl)acetamide is O=C(COc1ccccc1)N(Cc1cccnc1)c1nc2cc(F)ccc2s1.
What is the InChIKey of N-(5-fluoro-1,3-benzothiazol-2-yl)-2-phenoxy-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is FPEKLWRJGKYTIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3O2S/c22-16-8-9-19-18(11-16)24-21(28-19)25(13-15-5-4-10-23-12-15)20(26)14-27-17-6-2-1-3-7-17/h1-12H,13-14H2.
What are the key properties of N-(5-fluoro-1,3-benzothiazol-2-yl)-2-phenoxy-N-(pyridin-3-ylmethyl)acetamide?
N-(5-fluoro-1,3-benzothiazol-2-yl)-2-phenoxy-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 393.44 g/mol, XLogP of 4.44, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-1,3-benzothiazol-2-yl)-2-phenoxy-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 162380507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).