N-(4-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-2-phenoxyacetamide;hydrochloride

C23H28ClN3O3S — CID 18581629

IUPACN-(4-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-2-phenoxyacetamide;hydrochloride
SMILESCc1cccc2sc(N(CCCN3CCOCC3)C(=O)COc3ccccc3)nc12.Cl
InChIInChI=1S/C23H27N3O3S.ClH/c1-18-7-5-10-20-22(18)24-23(30-20)26(12-6-11-25-13-15-28-16-14-25)21(27)17-29-19-8-3-2-4-9-19;/h2-5,7-10H,6,11-17H2,1H3;1H
InChIKeyGKVYEVCCPVGSEI-UHFFFAOYSA-N
MW462.02 g/mol
LogP4.16
Rot. Bonds8

About N-(4-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-2-phenoxyacetamide;hydrochloride

N-(4-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-2-phenoxyacetamide;hydrochloride (PubChem CID 18581629) has the molecular formula C23H28ClN3O3S and a molecular weight of 462.02 g/mol. Its IUPAC name is N-(4-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-2-phenoxyacetamide;hydrochloride.

Molecular Properties

Compound NameN-(4-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-2-phenoxyacetamide;hydrochloride
PubChem CID18581629
Molecular FormulaC23H28ClN3O3S
Molecular Weight462.02 g/mol
Exact Mass461.15
IUPAC NameN-(4-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-2-phenoxyacetamide;hydrochloride
SMILESCc1cccc2sc(N(CCCN3CCOCC3)C(=O)COc3ccccc3)nc12.Cl
InChIInChI=1S/C23H27N3O3S.ClH/c1-18-7-5-10-20-22(18)24-23(30-20)26(12-6-11-25-13-15-28-16-14-25)21(27)17-29-19-8-3-2-4-9-19;/h2-5,7-10H,6,11-17H2,1H3;1H
InChIKeyGKVYEVCCPVGSEI-UHFFFAOYSA-N
XLogP4.16
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.02
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-2-phenoxyacetamide
CID 7622366
N-(4-ethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-2-phenoxyacetamide
CID 7622403
N-(4-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)butanamide
CID 7615538
2-(5-chlorothiophen-2-yl)-N-(4-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)acetamide
CID 30515861
4-benzyl-N-(4-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 43998513
2-(4-ethoxyphenoxy)-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 43997637
N-(4-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-2-phenoxybenzamide;hydrochloride
CID 44932828
N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-2-naphthalen-2-yloxyacetamide
CID 43997630
N-(3-morpholin-4-ylpropyl)-2-phenoxy-N-(4-phenyl-1,3-thiazol-2-yl)acetamide;hydrochloride
CID 171667869
3-bromo-N-(4-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)benzamide;hydrochloride
CID 44934292
2-(4-fluorophenyl)sulfonyl-N-(4-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)acetamide
CID 18581633
N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 7615556

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-2-phenoxyacetamide;hydrochloride?
The IUPAC name of N-(4-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-2-phenoxyacetamide;hydrochloride (CID 18581629) is N-(4-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-2-phenoxyacetamide;hydrochloride.
What is the SMILES notation for N-(4-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-2-phenoxyacetamide;hydrochloride?
The canonical SMILES for N-(4-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-2-phenoxyacetamide;hydrochloride is Cc1cccc2sc(N(CCCN3CCOCC3)C(=O)COc3ccccc3)nc12.Cl.
What is the InChIKey of N-(4-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-2-phenoxyacetamide;hydrochloride?
The InChIKey is GKVYEVCCPVGSEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3S.ClH/c1-18-7-5-10-20-22(18)24-23(30-20)26(12-6-11-25-13-15-28-16-14-25)21(27)17-29-19-8-3-2-4-9-19;/h2-5,7-10H,6,11-17H2,1H3;1H.
What are the key properties of N-(4-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-2-phenoxyacetamide;hydrochloride?
N-(4-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-2-phenoxyacetamide;hydrochloride has a molecular weight of 462.02 g/mol, XLogP of 4.16, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-2-phenoxyacetamide;hydrochloride is sourced from PubChem (CID 18581629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).