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

C25H24N2O3S — CID 41116053

IUPACN-benzyl-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)N(Cc2ccccc2)c2nc3cc(C)c(C)cc3s2)c1
InChIInChI=1S/C25H24N2O3S/c1-16-10-22-23(11-17(16)2)31-25(26-22)27(15-18-8-6-5-7-9-18)24(28)19-12-20(29-3)14-21(13-19)30-4/h5-14H,15H2,1-4H3
InChIKeySDUWVYOREGRFSE-UHFFFAOYSA-N
MW432.55 g/mol
LogP5.78
Rot. Bonds6

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

N-benzyl-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-3,5-dimethoxybenzamide (PubChem CID 41116053) has the molecular formula C25H24N2O3S and a molecular weight of 432.55 g/mol. Its IUPAC name is N-benzyl-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-benzyl-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-3,5-dimethoxybenzamide
PubChem CID41116053
Molecular FormulaC25H24N2O3S
Molecular Weight432.55 g/mol
Exact Mass432.15
IUPAC NameN-benzyl-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)N(Cc2ccccc2)c2nc3cc(C)c(C)cc3s2)c1
InChIInChI=1S/C25H24N2O3S/c1-16-10-22-23(11-17(16)2)31-25(26-22)27(15-18-8-6-5-7-9-18)24(28)19-12-20(29-3)14-21(13-19)30-4/h5-14H,15H2,1-4H3
InChIKeySDUWVYOREGRFSE-UHFFFAOYSA-N
XLogP5.78
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.55
LogP ≤ 55.78
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)benzamide
CID 41116033
N-benzyl-N-(6-bromo-1,3-benzothiazol-2-yl)-3,5-dimethoxybenzamide
CID 41110507
3,5-dimethoxy-N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)benzamide
CID 40995717
N-benzyl-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-3-nitrobenzamide
CID 41116041
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-benzyl-3,4-dimethoxy-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 8670835
N-benzyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-2,4-dimethylbenzamide
CID 41110246
N-benzyl-N-(5-methoxy-1,3-benzothiazol-2-yl)-4-propan-2-yloxybenzamide
CID 41110024
N-benzyl-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-2-phenylsulfanylacetamide
CID 41116127
N-benzyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzamide
CID 41110261
N-benzyl-6-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
CID 134016037

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-3,5-dimethoxybenzamide?
The IUPAC name of N-benzyl-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-3,5-dimethoxybenzamide (CID 41116053) is N-benzyl-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-3,5-dimethoxybenzamide.
What is the SMILES notation for N-benzyl-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-3,5-dimethoxybenzamide?
The canonical SMILES for N-benzyl-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)N(Cc2ccccc2)c2nc3cc(C)c(C)cc3s2)c1.
What is the InChIKey of N-benzyl-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-3,5-dimethoxybenzamide?
The InChIKey is SDUWVYOREGRFSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O3S/c1-16-10-22-23(11-17(16)2)31-25(26-22)27(15-18-8-6-5-7-9-18)24(28)19-12-20(29-3)14-21(13-19)30-4/h5-14H,15H2,1-4H3.
What are the key properties of N-benzyl-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-3,5-dimethoxybenzamide?
N-benzyl-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-3,5-dimethoxybenzamide has a molecular weight of 432.55 g/mol, XLogP of 5.78, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-3,5-dimethoxybenzamide is sourced from PubChem (CID 41116053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).