N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-2-(3-methylphenyl)-N-(pyridin-2-ylmethyl)acetamide

C24H23N3O3S — CID 43986809

IUPACN-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-2-(3-methylphenyl)-N-(pyridin-2-ylmethyl)acetamide
SMILESCOc1ccc(OC)c2sc(N(Cc3ccccn3)C(=O)Cc3cccc(C)c3)nc12
InChIInChI=1S/C24H23N3O3S/c1-16-7-6-8-17(13-16)14-21(28)27(15-18-9-4-5-12-25-18)24-26-22-19(29-2)10-11-20(30-3)23(22)31-24/h4-13H,14-15H2,1-3H3
InChIKeyWBLGFUYKXLLKFH-UHFFFAOYSA-N
MW433.53 g/mol
LogP4.79
Rot. Bonds7

About N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-2-(3-methylphenyl)-N-(pyridin-2-ylmethyl)acetamide

N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-2-(3-methylphenyl)-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 43986809) has the molecular formula C24H23N3O3S and a molecular weight of 433.53 g/mol. Its IUPAC name is N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-2-(3-methylphenyl)-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-2-(3-methylphenyl)-N-(pyridin-2-ylmethyl)acetamide
PubChem CID43986809
Molecular FormulaC24H23N3O3S
Molecular Weight433.53 g/mol
Exact Mass433.15
IUPAC NameN-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-2-(3-methylphenyl)-N-(pyridin-2-ylmethyl)acetamide
SMILESCOc1ccc(OC)c2sc(N(Cc3ccccn3)C(=O)Cc3cccc(C)c3)nc12
InChIInChI=1S/C24H23N3O3S/c1-16-7-6-8-17(13-16)14-21(28)27(15-18-9-4-5-12-25-18)24-26-22-19(29-2)10-11-20(30-3)23(22)31-24/h4-13H,14-15H2,1-3H3
InChIKeyWBLGFUYKXLLKFH-UHFFFAOYSA-N
XLogP4.79
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.53
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-2-(3-methylphenoxy)-N-(pyridin-2-ylmethyl)acetamide
CID 43986731
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylphenyl)-N-(pyridin-2-ylmethyl)acetamide
CID 41362831
N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-(4-methoxy-3-methylphenyl)-N-(pyridin-2-ylmethyl)acetamide
CID 16848545
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-2-(4-methylsulfonylphenyl)-N-(pyridin-2-ylmethyl)acetamide
CID 16831353
N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)-2-(2,4,6-trimethylphenyl)acetamide
CID 41343122
2-(2-chlorophenyl)-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 43987427
2-(1,3-benzodioxol-5-yl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 41108329
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-(3-methylphenyl)-N-(pyridin-2-ylmethyl)acetamide
CID 43986794
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-2-phenylsulfanyl-N-(pyridin-2-ylmethyl)acetamide
CID 18576576
(E)-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3-phenyl-N-(pyridin-2-ylmethyl)prop-2-enamide
CID 18582183
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3-phenoxy-N-(pyridin-2-ylmethyl)propanamide
CID 18582193

Frequently Asked Questions

What is the IUPAC name of N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-2-(3-methylphenyl)-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-2-(3-methylphenyl)-N-(pyridin-2-ylmethyl)acetamide (CID 43986809) is N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-2-(3-methylphenyl)-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-2-(3-methylphenyl)-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-2-(3-methylphenyl)-N-(pyridin-2-ylmethyl)acetamide is COc1ccc(OC)c2sc(N(Cc3ccccn3)C(=O)Cc3cccc(C)c3)nc12.
What is the InChIKey of N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-2-(3-methylphenyl)-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is WBLGFUYKXLLKFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3S/c1-16-7-6-8-17(13-16)14-21(28)27(15-18-9-4-5-12-25-18)24-26-22-19(29-2)10-11-20(30-3)23(22)31-24/h4-13H,14-15H2,1-3H3.
What are the key properties of N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-2-(3-methylphenyl)-N-(pyridin-2-ylmethyl)acetamide?
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-2-(3-methylphenyl)-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 433.53 g/mol, XLogP of 4.79, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-2-(3-methylphenyl)-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 43986809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).