N-(6-ethyl-1,3-benzothiazol-2-yl)-2-(3-methylphenyl)-N-(pyridin-2-ylmethyl)acetamide

C24H23N3OS — CID 43986794

IUPACN-(6-ethyl-1,3-benzothiazol-2-yl)-2-(3-methylphenyl)-N-(pyridin-2-ylmethyl)acetamide
SMILESCCc1ccc2nc(N(Cc3ccccn3)C(=O)Cc3cccc(C)c3)sc2c1
InChIInChI=1S/C24H23N3OS/c1-3-18-10-11-21-22(14-18)29-24(26-21)27(16-20-9-4-5-12-25-20)23(28)15-19-8-6-7-17(2)13-19/h4-14H,3,15-16H2,1-2H3
InChIKeyJFQAPTNLILGBJN-UHFFFAOYSA-N
MW401.54 g/mol
LogP5.34
Rot. Bonds6

About N-(6-ethyl-1,3-benzothiazol-2-yl)-2-(3-methylphenyl)-N-(pyridin-2-ylmethyl)acetamide

N-(6-ethyl-1,3-benzothiazol-2-yl)-2-(3-methylphenyl)-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 43986794) has the molecular formula C24H23N3OS and a molecular weight of 401.54 g/mol. Its IUPAC name is N-(6-ethyl-1,3-benzothiazol-2-yl)-2-(3-methylphenyl)-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-(6-ethyl-1,3-benzothiazol-2-yl)-2-(3-methylphenyl)-N-(pyridin-2-ylmethyl)acetamide
PubChem CID43986794
Molecular FormulaC24H23N3OS
Molecular Weight401.54 g/mol
Exact Mass401.16
IUPAC NameN-(6-ethyl-1,3-benzothiazol-2-yl)-2-(3-methylphenyl)-N-(pyridin-2-ylmethyl)acetamide
SMILESCCc1ccc2nc(N(Cc3ccccn3)C(=O)Cc3cccc(C)c3)sc2c1
InChIInChI=1S/C24H23N3OS/c1-3-18-10-11-21-22(14-18)29-24(26-21)27(16-20-9-4-5-12-25-20)23(28)15-19-8-6-7-17(2)13-19/h4-14H,3,15-16H2,1-2H3
InChIKeyJFQAPTNLILGBJN-UHFFFAOYSA-N
XLogP5.34
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.54
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-ethyl-1,3-benzothiazol-2-yl)-2-naphthalen-1-yl-N-(pyridin-2-ylmethyl)acetamide
CID 41055786
N-(6-ethyl-1,3-benzothiazol-2-yl)-2-(3-methylphenoxy)-N-(pyridin-2-ylmethyl)acetamide
CID 43986716
2-(3,4-dimethylphenyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 41342919
N-(6-ethyl-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylsulfonylphenyl)-N-(pyridin-2-ylmethyl)acetamide
CID 16838402
N-(6-ethyl-1,3-benzothiazol-2-yl)-2,4-dimethyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 43987002
2-(benzenesulfonyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 41047135
N-(6-ethyl-1,3-benzothiazol-2-yl)-3-methyl-N-(pyridin-2-ylmethyl)-1,2-oxazole-5-carboxamide
CID 16879600
N-(6-ethyl-1,3-benzothiazol-2-yl)-2-(4-methoxyphenoxy)-N-(pyridin-2-ylmethyl)acetamide
CID 43986172
N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-2-phenyl-N-(pyridin-2-ylmethyl)acetamide
CID 40519463
4-bromo-N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide
CID 41055745
N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(3-methylphenyl)-N-(pyridin-2-ylmethyl)acetamide
CID 43986816
N-(6-ethyl-1,3-benzothiazol-2-yl)-2-phenyl-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide
CID 43987870

Frequently Asked Questions

What is the IUPAC name of N-(6-ethyl-1,3-benzothiazol-2-yl)-2-(3-methylphenyl)-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of N-(6-ethyl-1,3-benzothiazol-2-yl)-2-(3-methylphenyl)-N-(pyridin-2-ylmethyl)acetamide (CID 43986794) is N-(6-ethyl-1,3-benzothiazol-2-yl)-2-(3-methylphenyl)-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for N-(6-ethyl-1,3-benzothiazol-2-yl)-2-(3-methylphenyl)-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for N-(6-ethyl-1,3-benzothiazol-2-yl)-2-(3-methylphenyl)-N-(pyridin-2-ylmethyl)acetamide is CCc1ccc2nc(N(Cc3ccccn3)C(=O)Cc3cccc(C)c3)sc2c1.
What is the InChIKey of N-(6-ethyl-1,3-benzothiazol-2-yl)-2-(3-methylphenyl)-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is JFQAPTNLILGBJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3OS/c1-3-18-10-11-21-22(14-18)29-24(26-21)27(16-20-9-4-5-12-25-20)23(28)15-19-8-6-7-17(2)13-19/h4-14H,3,15-16H2,1-2H3.
What are the key properties of N-(6-ethyl-1,3-benzothiazol-2-yl)-2-(3-methylphenyl)-N-(pyridin-2-ylmethyl)acetamide?
N-(6-ethyl-1,3-benzothiazol-2-yl)-2-(3-methylphenyl)-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 401.54 g/mol, XLogP of 5.34, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethyl-1,3-benzothiazol-2-yl)-2-(3-methylphenyl)-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 43986794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).