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

C23H28ClN3O2S — CID 44900552

IUPACN-(4,5-dimethyl-1,3-benzothiazol-2-yl)-4-methyl-N-(2-morpholin-4-ylethyl)benzamide;hydrochloride
SMILESCc1ccc(C(=O)N(CCN2CCOCC2)c2nc3c(C)c(C)ccc3s2)cc1.Cl
InChIInChI=1S/C23H27N3O2S.ClH/c1-16-4-7-19(8-5-16)22(27)26(11-10-25-12-14-28-15-13-25)23-24-21-18(3)17(2)6-9-20(21)29-23;/h4-9H,10-15H2,1-3H3;1H
InChIKeyZWBYSSIJCORVGB-UHFFFAOYSA-N
MW446.02 g/mol
LogP4.62
Rot. Bonds5

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

N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-4-methyl-N-(2-morpholin-4-ylethyl)benzamide;hydrochloride (PubChem CID 44900552) has the molecular formula C23H28ClN3O2S and a molecular weight of 446.02 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-4-methyl-N-(2-morpholin-4-ylethyl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-benzothiazol-2-yl)-4-methyl-N-(2-morpholin-4-ylethyl)benzamide;hydrochloride
PubChem CID44900552
Molecular FormulaC23H28ClN3O2S
Molecular Weight446.02 g/mol
Exact Mass445.16
IUPAC NameN-(4,5-dimethyl-1,3-benzothiazol-2-yl)-4-methyl-N-(2-morpholin-4-ylethyl)benzamide;hydrochloride
SMILESCc1ccc(C(=O)N(CCN2CCOCC2)c2nc3c(C)c(C)ccc3s2)cc1.Cl
InChIInChI=1S/C23H27N3O2S.ClH/c1-16-4-7-19(8-5-16)22(27)26(11-10-25-12-14-28-15-13-25)23-24-21-18(3)17(2)6-9-20(21)29-23;/h4-9H,10-15H2,1-3H3;1H
InChIKeyZWBYSSIJCORVGB-UHFFFAOYSA-N
XLogP4.62
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.02
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

4-methyl-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide;hydrochloride
CID 44946611
N-(4-fluoro-1,3-benzothiazol-2-yl)-4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 7622447
N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-3-ethylsulfonyl-N-(2-morpholin-4-ylethyl)benzamide;hydrochloride
CID 18583478
5-bromo-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide
CID 29138649
N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide
CID 7622925
N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)butanamide
CID 7622932
N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-3-ethylsulfanyl-N-(2-morpholin-4-ylethyl)benzamide
CID 29138694
N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2,4-difluoro-N-(2-morpholin-4-ylethyl)benzamide
CID 43997420
4-acetyl-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide
CID 29138346
N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-cyano-N-(2-morpholin-4-ylethyl)benzamide
CID 29138718
4-tert-butyl-N-(4-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide
CID 29137466
N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide;hydrochloride
CID 18583482

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-4-methyl-N-(2-morpholin-4-ylethyl)benzamide;hydrochloride?
The IUPAC name of N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-4-methyl-N-(2-morpholin-4-ylethyl)benzamide;hydrochloride (CID 44900552) is N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-4-methyl-N-(2-morpholin-4-ylethyl)benzamide;hydrochloride.
What is the SMILES notation for N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-4-methyl-N-(2-morpholin-4-ylethyl)benzamide;hydrochloride?
The canonical SMILES for N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-4-methyl-N-(2-morpholin-4-ylethyl)benzamide;hydrochloride is Cc1ccc(C(=O)N(CCN2CCOCC2)c2nc3c(C)c(C)ccc3s2)cc1.Cl.
What is the InChIKey of N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-4-methyl-N-(2-morpholin-4-ylethyl)benzamide;hydrochloride?
The InChIKey is ZWBYSSIJCORVGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2S.ClH/c1-16-4-7-19(8-5-16)22(27)26(11-10-25-12-14-28-15-13-25)23-24-21-18(3)17(2)6-9-20(21)29-23;/h4-9H,10-15H2,1-3H3;1H.
What are the key properties of N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-4-methyl-N-(2-morpholin-4-ylethyl)benzamide;hydrochloride?
N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-4-methyl-N-(2-morpholin-4-ylethyl)benzamide;hydrochloride has a molecular weight of 446.02 g/mol, XLogP of 4.62, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-4-methyl-N-(2-morpholin-4-ylethyl)benzamide;hydrochloride is sourced from PubChem (CID 44900552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).