2-(2-methoxyphenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)acetamide

C23H21N3O3S — CID 43966651

IUPAC2-(2-methoxyphenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)acetamide
SMILESCOc1ccccc1OCC(=O)N(Cc1cccnc1)c1nc2ccc(C)cc2s1
InChIInChI=1S/C23H21N3O3S/c1-16-9-10-18-21(12-16)30-23(25-18)26(14-17-6-5-11-24-13-17)22(27)15-29-20-8-4-3-7-19(20)28-2/h3-13H,14-15H2,1-2H3
InChIKeyVZJCOUUTCBSJLC-UHFFFAOYSA-N
MW419.51 g/mol
LogP4.62
Rot. Bonds7

About 2-(2-methoxyphenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)acetamide

2-(2-methoxyphenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 43966651) has the molecular formula C23H21N3O3S and a molecular weight of 419.51 g/mol. Its IUPAC name is 2-(2-methoxyphenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2-methoxyphenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)acetamide
PubChem CID43966651
Molecular FormulaC23H21N3O3S
Molecular Weight419.51 g/mol
Exact Mass419.13
IUPAC Name2-(2-methoxyphenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)acetamide
SMILESCOc1ccccc1OCC(=O)N(Cc1cccnc1)c1nc2ccc(C)cc2s1
InChIInChI=1S/C23H21N3O3S/c1-16-9-10-18-21(12-16)30-23(25-18)26(14-17-6-5-11-24-13-17)22(27)15-29-20-8-4-3-7-19(20)28-2/h3-13H,14-15H2,1-2H3
InChIKeyVZJCOUUTCBSJLC-UHFFFAOYSA-N
XLogP4.62
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.51
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-methoxy-1,3-benzothiazol-2-yl)-2-(2-methoxyphenoxy)-N-(pyridin-3-ylmethyl)acetamide
CID 43966646
N-(4-chloro-1,3-benzothiazol-2-yl)-2-(2-methoxyphenoxy)-N-(pyridin-3-ylmethyl)acetamide
CID 43966648
N-(1,3-benzothiazol-2-yl)-2-(3-methylphenoxy)-N-(pyridin-3-ylmethyl)acetamide
CID 43967171
N-(1,3-benzothiazol-2-yl)-2-(4-methylphenoxy)-N-(pyridin-3-ylmethyl)acetamide
CID 43967194
N-(1,3-benzothiazol-2-yl)-2-(3-methoxyphenoxy)-N-(pyridin-3-ylmethyl)acetamide
CID 43966667
N-(6-methyl-1,3-benzothiazol-2-yl)-2-(3-methylphenyl)-N-(pyridin-3-ylmethyl)acetamide
CID 43967247
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(2-fluorophenoxy)-N-(pyridin-3-ylmethyl)acetamide
CID 43966744
2-(2,5-dimethylphenyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 41342782
N-(6-methyl-1,3-benzothiazol-2-yl)-2-naphthalen-1-yl-N-(pyridin-3-ylmethyl)acetamide
CID 40982885
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-phenoxy-N-(pyridin-3-ylmethyl)acetamide
CID 40508156
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(3-methoxyphenoxy)-N-(pyridin-3-ylmethyl)acetamide
CID 43966676
N-(4-methoxy-1,3-benzothiazol-2-yl)-2-(3-methoxyphenoxy)-N-(pyridin-3-ylmethyl)acetamide
CID 43966669

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-(2-methoxyphenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)acetamide (CID 43966651) is 2-(2-methoxyphenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-(2-methoxyphenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-(2-methoxyphenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)acetamide is COc1ccccc1OCC(=O)N(Cc1cccnc1)c1nc2ccc(C)cc2s1.
What is the InChIKey of 2-(2-methoxyphenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is VZJCOUUTCBSJLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3S/c1-16-9-10-18-21(12-16)30-23(25-18)26(14-17-6-5-11-24-13-17)22(27)15-29-20-8-4-3-7-19(20)28-2/h3-13H,14-15H2,1-2H3.
What are the key properties of 2-(2-methoxyphenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)acetamide?
2-(2-methoxyphenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 419.51 g/mol, XLogP of 4.62, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 43966651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).