N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3-phenoxy-N-(pyridin-2-ylmethyl)propanamide

C24H23N3O4S — CID 18582193

IUPACN-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3-phenoxy-N-(pyridin-2-ylmethyl)propanamide
SMILESCOc1ccc(OC)c2sc(N(Cc3ccccn3)C(=O)CCOc3ccccc3)nc12
InChIInChI=1S/C24H23N3O4S/c1-29-19-11-12-20(30-2)23-22(19)26-24(32-23)27(16-17-8-6-7-14-25-17)21(28)13-15-31-18-9-4-3-5-10-18/h3-12,14H,13,15-16H2,1-2H3
InChIKeyBAKPUXJXDFGSGZ-UHFFFAOYSA-N
MW449.53 g/mol
LogP4.71
Rot. Bonds9

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

N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3-phenoxy-N-(pyridin-2-ylmethyl)propanamide (PubChem CID 18582193) has the molecular formula C24H23N3O4S and a molecular weight of 449.53 g/mol. Its IUPAC name is N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3-phenoxy-N-(pyridin-2-ylmethyl)propanamide.

Molecular Properties

Compound NameN-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3-phenoxy-N-(pyridin-2-ylmethyl)propanamide
PubChem CID18582193
Molecular FormulaC24H23N3O4S
Molecular Weight449.53 g/mol
Exact Mass449.14
IUPAC NameN-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3-phenoxy-N-(pyridin-2-ylmethyl)propanamide
SMILESCOc1ccc(OC)c2sc(N(Cc3ccccn3)C(=O)CCOc3ccccc3)nc12
InChIInChI=1S/C24H23N3O4S/c1-29-19-11-12-20(30-2)23-22(19)26-24(32-23)27(16-17-8-6-7-14-25-17)21(28)13-15-31-18-9-4-3-5-10-18/h3-12,14H,13,15-16H2,1-2H3
InChIKeyBAKPUXJXDFGSGZ-UHFFFAOYSA-N
XLogP4.71
TPSA73.78 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.53
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-2-phenylsulfanyl-N-(pyridin-2-ylmethyl)acetamide
CID 18576576
2-(2-chlorophenyl)-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 43987427
N-(1,3-benzothiazol-2-yl)-3-phenoxy-N-(pyridin-2-ylmethyl)propanamide
CID 18576666
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-4-ethoxy-N-(pyridin-2-ylmethyl)benzamide
CID 41056409
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-2-(3-methylphenoxy)-N-(pyridin-2-ylmethyl)acetamide
CID 43986731
N-[2-(dimethylamino)ethyl]-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-3-phenoxypropanamide
CID 7510999
N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)sulfanyl-N-(pyridin-2-ylmethyl)propanamide
CID 41319296
3-phenoxy-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)propanamide
CID 16939124
3-butoxy-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide
CID 41056401
(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)-2-(3-methylphenyl)-N-(pyridin-2-ylmethyl)acetamide
CID 43986809
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylphenyl)-N-(pyridin-2-ylmethyl)acetamide
CID 41362831

Frequently Asked Questions

What is the IUPAC name of N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3-phenoxy-N-(pyridin-2-ylmethyl)propanamide?
The IUPAC name of N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3-phenoxy-N-(pyridin-2-ylmethyl)propanamide (CID 18582193) is N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3-phenoxy-N-(pyridin-2-ylmethyl)propanamide.
What is the SMILES notation for N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3-phenoxy-N-(pyridin-2-ylmethyl)propanamide?
The canonical SMILES for N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3-phenoxy-N-(pyridin-2-ylmethyl)propanamide is COc1ccc(OC)c2sc(N(Cc3ccccn3)C(=O)CCOc3ccccc3)nc12.
What is the InChIKey of N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3-phenoxy-N-(pyridin-2-ylmethyl)propanamide?
The InChIKey is BAKPUXJXDFGSGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O4S/c1-29-19-11-12-20(30-2)23-22(19)26-24(32-23)27(16-17-8-6-7-14-25-17)21(28)13-15-31-18-9-4-3-5-10-18/h3-12,14H,13,15-16H2,1-2H3.
What are the key properties of N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3-phenoxy-N-(pyridin-2-ylmethyl)propanamide?
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3-phenoxy-N-(pyridin-2-ylmethyl)propanamide has a molecular weight of 449.53 g/mol, XLogP of 4.71, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3-phenoxy-N-(pyridin-2-ylmethyl)propanamide is sourced from PubChem (CID 18582193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).