N-(5-methoxy-1,3-benzothiazol-2-yl)-2,5-dimethyl-N-(pyridin-2-ylmethyl)benzamide

C23H21N3O2S — CID 40519222

IUPACN-(5-methoxy-1,3-benzothiazol-2-yl)-2,5-dimethyl-N-(pyridin-2-ylmethyl)benzamide
SMILESCOc1ccc2sc(N(Cc3ccccn3)C(=O)c3cc(C)ccc3C)nc2c1
InChIInChI=1S/C23H21N3O2S/c1-15-7-8-16(2)19(12-15)22(27)26(14-17-6-4-5-11-24-17)23-25-20-13-18(28-3)9-10-21(20)29-23/h4-13H,14H2,1-3H3
InChIKeyLTVWPEFIXPJYBV-UHFFFAOYSA-N
MW403.51 g/mol
LogP5.16
Rot. Bonds5

About N-(5-methoxy-1,3-benzothiazol-2-yl)-2,5-dimethyl-N-(pyridin-2-ylmethyl)benzamide

N-(5-methoxy-1,3-benzothiazol-2-yl)-2,5-dimethyl-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 40519222) has the molecular formula C23H21N3O2S and a molecular weight of 403.51 g/mol. Its IUPAC name is N-(5-methoxy-1,3-benzothiazol-2-yl)-2,5-dimethyl-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

Compound NameN-(5-methoxy-1,3-benzothiazol-2-yl)-2,5-dimethyl-N-(pyridin-2-ylmethyl)benzamide
PubChem CID40519222
Molecular FormulaC23H21N3O2S
Molecular Weight403.51 g/mol
Exact Mass403.14
IUPAC NameN-(5-methoxy-1,3-benzothiazol-2-yl)-2,5-dimethyl-N-(pyridin-2-ylmethyl)benzamide
SMILESCOc1ccc2sc(N(Cc3ccccn3)C(=O)c3cc(C)ccc3C)nc2c1
InChIInChI=1S/C23H21N3O2S/c1-15-7-8-16(2)19(12-15)22(27)26(14-17-6-4-5-11-24-17)23-25-20-13-18(28-3)9-10-21(20)29-23/h4-13H,14H2,1-3H3
InChIKeyLTVWPEFIXPJYBV-UHFFFAOYSA-N
XLogP5.16
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.51
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-methoxy-1,3-benzothiazol-2-yl)-2,5-dimethyl-N-(pyridin-2-ylmethyl)benzamide
CID 18582102
2,5-dimethoxy-N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide
CID 16849186
N-(5-methoxy-1,3-benzothiazol-2-yl)-2,5-dimethyl-N-(pyridin-2-ylmethyl)furan-3-carboxamide
CID 43987563
2-(3,4-dimethylphenyl)-N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 41342954
N-(5-methoxy-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)acetamide
CID 40700357
N-(5-methoxy-1,3-benzothiazol-2-yl)-4-methyl-N-(pyridin-2-ylmethyl)thiadiazole-5-carboxamide
CID 43987568
N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)pyrazine-2-carboxamide
CID 43987585
3,4-difluoro-N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide
CID 43986012
N-(1,3-benzothiazol-2-yl)-2,4-dimethyl-N-(pyridin-2-ylmethyl)benzamide
CID 40512387
N-(5-methoxy-1,3-benzothiazol-2-yl)-2-(4-methoxy-3-methylphenyl)-N-(pyridin-2-ylmethyl)acetamide
CID 16848575
N-(5-methoxy-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfanyl-N-(pyridin-2-ylmethyl)propanamide
CID 16813049
N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide
CID 18582079

Frequently Asked Questions

What is the IUPAC name of N-(5-methoxy-1,3-benzothiazol-2-yl)-2,5-dimethyl-N-(pyridin-2-ylmethyl)benzamide?
The IUPAC name of N-(5-methoxy-1,3-benzothiazol-2-yl)-2,5-dimethyl-N-(pyridin-2-ylmethyl)benzamide (CID 40519222) is N-(5-methoxy-1,3-benzothiazol-2-yl)-2,5-dimethyl-N-(pyridin-2-ylmethyl)benzamide.
What is the SMILES notation for N-(5-methoxy-1,3-benzothiazol-2-yl)-2,5-dimethyl-N-(pyridin-2-ylmethyl)benzamide?
The canonical SMILES for N-(5-methoxy-1,3-benzothiazol-2-yl)-2,5-dimethyl-N-(pyridin-2-ylmethyl)benzamide is COc1ccc2sc(N(Cc3ccccn3)C(=O)c3cc(C)ccc3C)nc2c1.
What is the InChIKey of N-(5-methoxy-1,3-benzothiazol-2-yl)-2,5-dimethyl-N-(pyridin-2-ylmethyl)benzamide?
The InChIKey is LTVWPEFIXPJYBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2S/c1-15-7-8-16(2)19(12-15)22(27)26(14-17-6-4-5-11-24-17)23-25-20-13-18(28-3)9-10-21(20)29-23/h4-13H,14H2,1-3H3.
What are the key properties of N-(5-methoxy-1,3-benzothiazol-2-yl)-2,5-dimethyl-N-(pyridin-2-ylmethyl)benzamide?
N-(5-methoxy-1,3-benzothiazol-2-yl)-2,5-dimethyl-N-(pyridin-2-ylmethyl)benzamide has a molecular weight of 403.51 g/mol, XLogP of 5.16, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methoxy-1,3-benzothiazol-2-yl)-2,5-dimethyl-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 40519222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).