N-benzyl-N-(6-bromo-1,3-benzothiazol-2-yl)-3,5-dimethoxybenzamide

C23H19BrN2O3S — CID 41110507

IUPACN-benzyl-N-(6-bromo-1,3-benzothiazol-2-yl)-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)N(Cc2ccccc2)c2nc3ccc(Br)cc3s2)c1
InChIInChI=1S/C23H19BrN2O3S/c1-28-18-10-16(11-19(13-18)29-2)22(27)26(14-15-6-4-3-5-7-15)23-25-20-9-8-17(24)12-21(20)30-23/h3-13H,14H2,1-2H3
InChIKeyWZAKRHGBVGVNIK-UHFFFAOYSA-N
MW483.39 g/mol
LogP5.92
Rot. Bonds6

About N-benzyl-N-(6-bromo-1,3-benzothiazol-2-yl)-3,5-dimethoxybenzamide

N-benzyl-N-(6-bromo-1,3-benzothiazol-2-yl)-3,5-dimethoxybenzamide (PubChem CID 41110507) has the molecular formula C23H19BrN2O3S and a molecular weight of 483.39 g/mol. Its IUPAC name is N-benzyl-N-(6-bromo-1,3-benzothiazol-2-yl)-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-benzyl-N-(6-bromo-1,3-benzothiazol-2-yl)-3,5-dimethoxybenzamide
PubChem CID41110507
Molecular FormulaC23H19BrN2O3S
Molecular Weight483.39 g/mol
Exact Mass482.03
IUPAC NameN-benzyl-N-(6-bromo-1,3-benzothiazol-2-yl)-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)N(Cc2ccccc2)c2nc3ccc(Br)cc3s2)c1
InChIInChI=1S/C23H19BrN2O3S/c1-28-18-10-16(11-19(13-18)29-2)22(27)26(14-15-6-4-3-5-7-15)23-25-20-9-8-17(24)12-21(20)30-23/h3-13H,14H2,1-2H3
InChIKeyWZAKRHGBVGVNIK-UHFFFAOYSA-N
XLogP5.92
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.39
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-3,5-dimethoxybenzamide
CID 41116053
N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-4-ylmethyl)benzamide
CID 18587392
N-benzyl-3-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 41110197
N-(1,3-benzothiazol-2-yl)-N-benzyl-3-bromobenzamide
CID 41109489
N-benzyl-N-(6-bromo-1,3-benzothiazol-2-yl)-2-(4-methoxy-3-methylphenyl)acetamide
CID 16848566
N-benzyl-6-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
CID 134016037
N-benzyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzamide
CID 41110261
N-(6-ethoxy-1,3-benzothiazol-2-yl)-3,5-dimethoxy-N-(pyridin-3-ylmethyl)benzamide
CID 40982979
N-benzyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-nitrobenzamide
CID 41110198
N-(6-bromo-1,3-benzothiazol-2-yl)-3-methoxy-N-(pyridin-3-ylmethyl)naphthalene-2-carboxamide
CID 40983231
3,5-dimethoxy-N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)benzamide
CID 40995717
N-benzyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 41110232

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(6-bromo-1,3-benzothiazol-2-yl)-3,5-dimethoxybenzamide?
The IUPAC name of N-benzyl-N-(6-bromo-1,3-benzothiazol-2-yl)-3,5-dimethoxybenzamide (CID 41110507) is N-benzyl-N-(6-bromo-1,3-benzothiazol-2-yl)-3,5-dimethoxybenzamide.
What is the SMILES notation for N-benzyl-N-(6-bromo-1,3-benzothiazol-2-yl)-3,5-dimethoxybenzamide?
The canonical SMILES for N-benzyl-N-(6-bromo-1,3-benzothiazol-2-yl)-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)N(Cc2ccccc2)c2nc3ccc(Br)cc3s2)c1.
What is the InChIKey of N-benzyl-N-(6-bromo-1,3-benzothiazol-2-yl)-3,5-dimethoxybenzamide?
The InChIKey is WZAKRHGBVGVNIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19BrN2O3S/c1-28-18-10-16(11-19(13-18)29-2)22(27)26(14-15-6-4-3-5-7-15)23-25-20-9-8-17(24)12-21(20)30-23/h3-13H,14H2,1-2H3.
What are the key properties of N-benzyl-N-(6-bromo-1,3-benzothiazol-2-yl)-3,5-dimethoxybenzamide?
N-benzyl-N-(6-bromo-1,3-benzothiazol-2-yl)-3,5-dimethoxybenzamide has a molecular weight of 483.39 g/mol, XLogP of 5.92, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(6-bromo-1,3-benzothiazol-2-yl)-3,5-dimethoxybenzamide is sourced from PubChem (CID 41110507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).