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

C23H28N3O2S+ — CID 7626312

IUPACN-(5,6-dimethyl-1,3-benzothiazol-2-yl)-4-methyl-N-(2-morpholin-4-ium-4-ylethyl)benzamide
SMILESCc1ccc(C(=O)N(CC[NH+]2CCOCC2)c2nc3cc(C)c(C)cc3s2)cc1
InChIInChI=1S/C23H27N3O2S/c1-16-4-6-19(7-5-16)22(27)26(9-8-25-10-12-28-13-11-25)23-24-20-14-17(2)18(3)15-21(20)29-23/h4-7,14-15H,8-13H2,1-3H3/p+1
InChIKeyZQVTXQOEYMWBTR-UHFFFAOYSA-O
MW410.56 g/mol
LogP2.78
Rot. Bonds5

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

N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-4-methyl-N-(2-morpholin-4-ium-4-ylethyl)benzamide (PubChem CID 7626312) has the molecular formula C23H28N3O2S+ and a molecular weight of 410.56 g/mol. Its IUPAC name is N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-4-methyl-N-(2-morpholin-4-ium-4-ylethyl)benzamide.

Molecular Properties

Compound NameN-(5,6-dimethyl-1,3-benzothiazol-2-yl)-4-methyl-N-(2-morpholin-4-ium-4-ylethyl)benzamide
PubChem CID7626312
Molecular FormulaC23H28N3O2S+
Molecular Weight410.56 g/mol
Exact Mass410.19
IUPAC NameN-(5,6-dimethyl-1,3-benzothiazol-2-yl)-4-methyl-N-(2-morpholin-4-ium-4-ylethyl)benzamide
SMILESCc1ccc(C(=O)N(CC[NH+]2CCOCC2)c2nc3cc(C)c(C)cc3s2)cc1
InChIInChI=1S/C23H27N3O2S/c1-16-4-6-19(7-5-16)22(27)26(9-8-25-10-12-28-13-11-25)23-24-20-14-17(2)18(3)15-21(20)29-23/h4-7,14-15H,8-13H2,1-3H3/p+1
InChIKeyZQVTXQOEYMWBTR-UHFFFAOYSA-O
XLogP2.78
TPSA46.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.56
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-3-fluoro-N-(2-morpholin-4-ium-4-ylethyl)benzamide
CID 7626317
N-(6-ethyl-1,3-benzothiazol-2-yl)-2,4-dimethyl-N-(2-morpholin-4-ium-4-ylethyl)benzamide
CID 8698505
N-(1,3-benzothiazol-2-yl)-3-methyl-N-(2-morpholin-4-ium-4-ylethyl)benzamide
CID 7622224
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2,5-dimethyl-N-(2-morpholin-4-ium-4-ylethyl)benzamide
CID 8698536
4-chloro-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 29073730
N-(1,3-benzothiazol-2-yl)-3-chloro-N-(2-morpholin-4-ium-4-ylethyl)benzamide
CID 7622230
N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-4-methylbenzamide
CID 30713044
4-acetyl-N-[2-(dimethylamino)ethyl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)benzamide;hydrochloride
CID 44928657
4-bromo-N-[2-(dimethylamino)ethyl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)benzamide
CID 41016467
4-benzoyl-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 43999845
N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-4-ethylsulfonyl-N-(2-morpholin-4-ylethyl)benzamide
CID 29138825
N-[2-(dimethylamino)ethyl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-3,4-dimethylbenzamide
CID 7525090

Frequently Asked Questions

What is the IUPAC name of N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-4-methyl-N-(2-morpholin-4-ium-4-ylethyl)benzamide?
The IUPAC name of N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-4-methyl-N-(2-morpholin-4-ium-4-ylethyl)benzamide (CID 7626312) is N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-4-methyl-N-(2-morpholin-4-ium-4-ylethyl)benzamide.
What is the SMILES notation for N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-4-methyl-N-(2-morpholin-4-ium-4-ylethyl)benzamide?
The canonical SMILES for N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-4-methyl-N-(2-morpholin-4-ium-4-ylethyl)benzamide is Cc1ccc(C(=O)N(CC[NH+]2CCOCC2)c2nc3cc(C)c(C)cc3s2)cc1.
What is the InChIKey of N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-4-methyl-N-(2-morpholin-4-ium-4-ylethyl)benzamide?
The InChIKey is ZQVTXQOEYMWBTR-UHFFFAOYSA-O. The full InChI is InChI=1S/C23H27N3O2S/c1-16-4-6-19(7-5-16)22(27)26(9-8-25-10-12-28-13-11-25)23-24-20-14-17(2)18(3)15-21(20)29-23/h4-7,14-15H,8-13H2,1-3H3/p+1.
What are the key properties of N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-4-methyl-N-(2-morpholin-4-ium-4-ylethyl)benzamide?
N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-4-methyl-N-(2-morpholin-4-ium-4-ylethyl)benzamide has a molecular weight of 410.56 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-4-methyl-N-(2-morpholin-4-ium-4-ylethyl)benzamide is sourced from PubChem (CID 7626312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).