N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2,5-dimethyl-N-(2-morpholin-4-ylethyl)benzamide

C24H29N3O2S — CID 8698521

IUPACN-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2,5-dimethyl-N-(2-morpholin-4-ylethyl)benzamide
SMILESCc1ccc(C)c(C(=O)N(CCN2CCOCC2)c2nc3cc(C)cc(C)c3s2)c1
InChIInChI=1S/C24H29N3O2S/c1-16-5-6-18(3)20(14-16)23(28)27(8-7-26-9-11-29-12-10-26)24-25-21-15-17(2)13-19(4)22(21)30-24/h5-6,13-15H,7-12H2,1-4H3
InChIKeyKBEUWGBAOCJGLJ-UHFFFAOYSA-N
MW423.58 g/mol
LogP4.51
Rot. Bonds5

About N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2,5-dimethyl-N-(2-morpholin-4-ylethyl)benzamide

N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2,5-dimethyl-N-(2-morpholin-4-ylethyl)benzamide (PubChem CID 8698521) has the molecular formula C24H29N3O2S and a molecular weight of 423.58 g/mol. Its IUPAC name is N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2,5-dimethyl-N-(2-morpholin-4-ylethyl)benzamide.

Molecular Properties

Compound NameN-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2,5-dimethyl-N-(2-morpholin-4-ylethyl)benzamide
PubChem CID8698521
Molecular FormulaC24H29N3O2S
Molecular Weight423.58 g/mol
Exact Mass423.20
IUPAC NameN-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2,5-dimethyl-N-(2-morpholin-4-ylethyl)benzamide
SMILESCc1ccc(C)c(C(=O)N(CCN2CCOCC2)c2nc3cc(C)cc(C)c3s2)c1
InChIInChI=1S/C24H29N3O2S/c1-16-5-6-18(3)20(14-16)23(28)27(8-7-26-9-11-29-12-10-26)24-25-21-15-17(2)13-19(4)22(21)30-24/h5-6,13-15H,7-12H2,1-4H3
InChIKeyKBEUWGBAOCJGLJ-UHFFFAOYSA-N
XLogP4.51
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.58
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-1H-indole-3-carboxamide
CID 43998230
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2,5-dimethyl-N-(2-morpholin-4-ylethyl)benzamide
CID 29138026
N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-(4-methylphenyl)sulfonyl-N-(2-morpholin-4-ylethyl)acetamide
CID 29138327
N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-3-ethylsulfonyl-N-(2-morpholin-4-ylethyl)benzamide
CID 29138333
N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-(2,5-dioxopyrrolidin-1-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 29138313
N-[3-(dimethylamino)propyl]-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2,5-dimethylbenzamide
CID 41348414
N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-5-nitro-1-benzothiophene-2-carboxamide
CID 25319690
N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide;hydrochloride
CID 18581843
N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-1-benzofuran-2-carboxamide
CID 30715249
N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-(4-fluorophenoxy)-N-(2-morpholin-4-ylethyl)acetamide
CID 43997310
N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-4-methyl-N-(3-morpholin-4-ylpropyl)thiadiazole-5-carboxamide;hydrochloride
CID 71779426
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2,4-dimethyl-N-(2-morpholin-4-ylethyl)benzamide
CID 29138027

Frequently Asked Questions

What is the IUPAC name of N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2,5-dimethyl-N-(2-morpholin-4-ylethyl)benzamide?
The IUPAC name of N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2,5-dimethyl-N-(2-morpholin-4-ylethyl)benzamide (CID 8698521) is N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2,5-dimethyl-N-(2-morpholin-4-ylethyl)benzamide.
What is the SMILES notation for N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2,5-dimethyl-N-(2-morpholin-4-ylethyl)benzamide?
The canonical SMILES for N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2,5-dimethyl-N-(2-morpholin-4-ylethyl)benzamide is Cc1ccc(C)c(C(=O)N(CCN2CCOCC2)c2nc3cc(C)cc(C)c3s2)c1.
What is the InChIKey of N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2,5-dimethyl-N-(2-morpholin-4-ylethyl)benzamide?
The InChIKey is KBEUWGBAOCJGLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2S/c1-16-5-6-18(3)20(14-16)23(28)27(8-7-26-9-11-29-12-10-26)24-25-21-15-17(2)13-19(4)22(21)30-24/h5-6,13-15H,7-12H2,1-4H3.
What are the key properties of N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2,5-dimethyl-N-(2-morpholin-4-ylethyl)benzamide?
N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2,5-dimethyl-N-(2-morpholin-4-ylethyl)benzamide has a molecular weight of 423.58 g/mol, XLogP of 4.51, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2,5-dimethyl-N-(2-morpholin-4-ylethyl)benzamide is sourced from PubChem (CID 8698521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).