N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-1-benzofuran-2-carboxamide;hydrochloride

C24H26ClN3O4S — CID 44916062

IUPACN-(6-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-1-benzofuran-2-carboxamide;hydrochloride
SMILESCOc1ccc2nc(N(CCCN3CCOCC3)C(=O)c3cc4ccccc4o3)sc2c1.Cl
InChIInChI=1S/C24H25N3O4S.ClH/c1-29-18-7-8-19-22(16-18)32-24(25-19)27(10-4-9-26-11-13-30-14-12-26)23(28)21-15-17-5-2-3-6-20(17)31-21;/h2-3,5-8,15-16H,4,9-14H2,1H3;1H
InChIKeyGBKYAMVQBHGHEW-UHFFFAOYSA-N
MW488.01 g/mol
LogP4.84
Rot. Bonds7

About N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-1-benzofuran-2-carboxamide;hydrochloride

N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-1-benzofuran-2-carboxamide;hydrochloride (PubChem CID 44916062) has the molecular formula C24H26ClN3O4S and a molecular weight of 488.01 g/mol. Its IUPAC name is N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-1-benzofuran-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(6-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-1-benzofuran-2-carboxamide;hydrochloride
PubChem CID44916062
Molecular FormulaC24H26ClN3O4S
Molecular Weight488.01 g/mol
Exact Mass487.13
IUPAC NameN-(6-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-1-benzofuran-2-carboxamide;hydrochloride
SMILESCOc1ccc2nc(N(CCCN3CCOCC3)C(=O)c3cc4ccccc4o3)sc2c1.Cl
InChIInChI=1S/C24H25N3O4S.ClH/c1-29-18-7-8-19-22(16-18)32-24(25-19)27(10-4-9-26-11-13-30-14-12-26)23(28)21-15-17-5-2-3-6-20(17)31-21;/h2-3,5-8,15-16H,4,9-14H2,1H3;1H
InChIKeyGBKYAMVQBHGHEW-UHFFFAOYSA-N
XLogP4.84
TPSA68.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.01
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide
CID 29070856
N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)naphthalene-1-carboxamide;hydrochloride
CID 44935347
N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-4-oxochromene-2-carboxamide;hydrochloride
CID 18581727
N-(6-methoxy-1,3-benzothiazol-2-yl)-3-methyl-N-(3-morpholin-4-ylpropyl)benzamide;hydrochloride
CID 44899683
N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-4-phenylbenzamide
CID 29070738
N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-2-(4-phenylphenyl)acetamide;hydrochloride
CID 121046619
4-bromo-N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)benzamide;hydrochloride
CID 44935301
N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-1-benzofuran-2-carboxamide
CID 30715249
N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide
CID 7622625
4-tert-butyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)benzamide;hydrochloride
CID 44935346
7-methoxy-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-1-benzofuran-2-carboxamide
CID 29195171
N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 7615588

Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-1-benzofuran-2-carboxamide;hydrochloride?
The IUPAC name of N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-1-benzofuran-2-carboxamide;hydrochloride (CID 44916062) is N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-1-benzofuran-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-1-benzofuran-2-carboxamide;hydrochloride?
The canonical SMILES for N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-1-benzofuran-2-carboxamide;hydrochloride is COc1ccc2nc(N(CCCN3CCOCC3)C(=O)c3cc4ccccc4o3)sc2c1.Cl.
What is the InChIKey of N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-1-benzofuran-2-carboxamide;hydrochloride?
The InChIKey is GBKYAMVQBHGHEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O4S.ClH/c1-29-18-7-8-19-22(16-18)32-24(25-19)27(10-4-9-26-11-13-30-14-12-26)23(28)21-15-17-5-2-3-6-20(17)31-21;/h2-3,5-8,15-16H,4,9-14H2,1H3;1H.
What are the key properties of N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-1-benzofuran-2-carboxamide;hydrochloride?
N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-1-benzofuran-2-carboxamide;hydrochloride has a molecular weight of 488.01 g/mol, XLogP of 4.84, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-1-benzofuran-2-carboxamide;hydrochloride is sourced from PubChem (CID 44916062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).