N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2,5-dimethyl-N-(2-morpholin-4-ium-4-ylethyl)benzamide

C24H30N3O2S+ — CID 8698536

IUPACN-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2,5-dimethyl-N-(2-morpholin-4-ium-4-ylethyl)benzamide
SMILESCc1ccc(C)c(C(=O)N(CC[NH+]2CCOCC2)c2nc3c(C)cc(C)cc3s2)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)24-25-22-19(4)13-17(2)15-21(22)30-24/h5-6,13-15H,7-12H2,1-4H3/p+1
InChIKeyLCKJLGHLCINCKF-UHFFFAOYSA-O
MW424.59 g/mol
LogP3.09
Rot. Bonds5

About N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2,5-dimethyl-N-(2-morpholin-4-ium-4-ylethyl)benzamide

N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2,5-dimethyl-N-(2-morpholin-4-ium-4-ylethyl)benzamide (PubChem CID 8698536) has the molecular formula C24H30N3O2S+ and a molecular weight of 424.59 g/mol. Its IUPAC name is N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2,5-dimethyl-N-(2-morpholin-4-ium-4-ylethyl)benzamide.

Molecular Properties

Compound NameN-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2,5-dimethyl-N-(2-morpholin-4-ium-4-ylethyl)benzamide
PubChem CID8698536
Molecular FormulaC24H30N3O2S+
Molecular Weight424.59 g/mol
Exact Mass424.21
IUPAC NameN-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2,5-dimethyl-N-(2-morpholin-4-ium-4-ylethyl)benzamide
SMILESCc1ccc(C)c(C(=O)N(CC[NH+]2CCOCC2)c2nc3c(C)cc(C)cc3s2)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)24-25-22-19(4)13-17(2)15-21(22)30-24/h5-6,13-15H,7-12H2,1-4H3/p+1
InChIKeyLCKJLGHLCINCKF-UHFFFAOYSA-O
XLogP3.09
TPSA46.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.59
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2,5-dimethyl-N-(2-morpholin-4-ium-4-ylethyl)benzamide with MolForge

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Related Compounds

2,4-dimethyl-N-(4-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)benzamide
CID 8670703
N-(6-ethyl-1,3-benzothiazol-2-yl)-2,4-dimethyl-N-(2-morpholin-4-ium-4-ylethyl)benzamide
CID 8698505
N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-4-methyl-N-(2-morpholin-4-ium-4-ylethyl)benzamide
CID 7626312
N-(1,3-benzothiazol-2-yl)-3-methyl-N-(2-morpholin-4-ium-4-ylethyl)benzamide
CID 7622224
N-(4-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 7622363
N-(4-ethoxy-1,3-benzothiazol-2-yl)-3-methyl-N-(2-morpholin-4-ium-4-ylethyl)benzamide
CID 7622408
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)naphthalene-1-carboxamide
CID 29138372
5-bromo-2-chloro-N-[2-(dimethylamino)ethyl]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)benzamide
CID 43961138
N-[2-(dimethylamino)ethyl]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(2,4-dimethylphenyl)acetamide
CID 41099732
4-acetyl-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide
CID 29138346
N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2,5-dimethyl-N-(2-morpholin-4-ylethyl)benzamide
CID 8698521
2,4-dichloro-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 29072290

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2,5-dimethyl-N-(2-morpholin-4-ium-4-ylethyl)benzamide?
The IUPAC name of N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2,5-dimethyl-N-(2-morpholin-4-ium-4-ylethyl)benzamide (CID 8698536) is N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2,5-dimethyl-N-(2-morpholin-4-ium-4-ylethyl)benzamide.
What is the SMILES notation for N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2,5-dimethyl-N-(2-morpholin-4-ium-4-ylethyl)benzamide?
The canonical SMILES for N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2,5-dimethyl-N-(2-morpholin-4-ium-4-ylethyl)benzamide is Cc1ccc(C)c(C(=O)N(CC[NH+]2CCOCC2)c2nc3c(C)cc(C)cc3s2)c1.
What is the InChIKey of N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2,5-dimethyl-N-(2-morpholin-4-ium-4-ylethyl)benzamide?
The InChIKey is LCKJLGHLCINCKF-UHFFFAOYSA-O. 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)24-25-22-19(4)13-17(2)15-21(22)30-24/h5-6,13-15H,7-12H2,1-4H3/p+1.
What are the key properties of N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2,5-dimethyl-N-(2-morpholin-4-ium-4-ylethyl)benzamide?
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2,5-dimethyl-N-(2-morpholin-4-ium-4-ylethyl)benzamide has a molecular weight of 424.59 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2,5-dimethyl-N-(2-morpholin-4-ium-4-ylethyl)benzamide is sourced from PubChem (CID 8698536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).