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

C19H28ClN3O3S — CID 44899699

IUPACN-(6-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)butanamide;hydrochloride
SMILESCCCC(=O)N(CCCN1CCOCC1)c1nc2ccc(OC)cc2s1.Cl
InChIInChI=1S/C19H27N3O3S.ClH/c1-3-5-18(23)22(9-4-8-21-10-12-25-13-11-21)19-20-16-7-6-15(24-2)14-17(16)26-19;/h6-7,14H,3-5,8-13H2,1-2H3;1H
InChIKeyFBRSFOMDVMDXOQ-UHFFFAOYSA-N
MW413.97 g/mol
LogP3.58
Rot. Bonds8

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

N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)butanamide;hydrochloride (PubChem CID 44899699) has the molecular formula C19H28ClN3O3S and a molecular weight of 413.97 g/mol. Its IUPAC name is N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)butanamide;hydrochloride.

Molecular Properties

Compound NameN-(6-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)butanamide;hydrochloride
PubChem CID44899699
Molecular FormulaC19H28ClN3O3S
Molecular Weight413.97 g/mol
Exact Mass413.15
IUPAC NameN-(6-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)butanamide;hydrochloride
SMILESCCCC(=O)N(CCCN1CCOCC1)c1nc2ccc(OC)cc2s1.Cl
InChIInChI=1S/C19H27N3O3S.ClH/c1-3-5-18(23)22(9-4-8-21-10-12-25-13-11-21)19-20-16-7-6-15(24-2)14-17(16)26-19;/h6-7,14H,3-5,8-13H2,1-2H3;1H
InChIKeyFBRSFOMDVMDXOQ-UHFFFAOYSA-N
XLogP3.58
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.97
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3,4,5-triethoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)benzamide;hydrochloride
CID 44935355
2-(2,4-dimethylphenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)acetamide;hydrochloride
CID 44935397
N-(6-methoxy-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfonyl-N-(3-morpholin-4-ylpropyl)propanamide
CID 43998957
N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-2-(4-phenylphenyl)acetamide;hydrochloride
CID 121046619
N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)naphthalene-1-carboxamide;hydrochloride
CID 44935347
4-bromo-N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)benzamide;hydrochloride
CID 44935301
2-(1,3-benzodioxol-5-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)acetamide
CID 29199737
N-(6-methoxy-1,3-benzothiazol-2-yl)-3-methyl-N-(3-morpholin-4-ylpropyl)benzamide;hydrochloride
CID 44899683
4-tert-butyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)benzamide;hydrochloride
CID 44935346
N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide
CID 29070856
N-(6-bromo-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)acetamide;hydrochloride
CID 44937308
N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)adamantane-1-carboxamide
CID 43999908

Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)butanamide;hydrochloride?
The IUPAC name of N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)butanamide;hydrochloride (CID 44899699) is N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)butanamide;hydrochloride.
What is the SMILES notation for N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)butanamide;hydrochloride?
The canonical SMILES for N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)butanamide;hydrochloride is CCCC(=O)N(CCCN1CCOCC1)c1nc2ccc(OC)cc2s1.Cl.
What is the InChIKey of N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)butanamide;hydrochloride?
The InChIKey is FBRSFOMDVMDXOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3S.ClH/c1-3-5-18(23)22(9-4-8-21-10-12-25-13-11-21)19-20-16-7-6-15(24-2)14-17(16)26-19;/h6-7,14H,3-5,8-13H2,1-2H3;1H.
What are the key properties of N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)butanamide;hydrochloride?
N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)butanamide;hydrochloride has a molecular weight of 413.97 g/mol, XLogP of 3.58, 8 rotatable bonds, 0 hydrogen bond donors, and 6 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)butanamide;hydrochloride is sourced from PubChem (CID 44899699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).