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

C25H26ClN3O2S — CID 44934229

IUPACN-(1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide;hydrochloride
SMILESCl.O=C(c1ccc2ccccc2c1)N(CCCN1CCOCC1)c1nc2ccccc2s1
InChIInChI=1S/C25H25N3O2S.ClH/c29-24(21-11-10-19-6-1-2-7-20(19)18-21)28(13-5-12-27-14-16-30-17-15-27)25-26-22-8-3-4-9-23(22)31-25;/h1-4,6-11,18H,5,12-17H2;1H
InChIKeyYBGVBBPZKZGMQY-UHFFFAOYSA-N
MW468.02 g/mol
LogP5.24
Rot. Bonds6

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

N-(1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide;hydrochloride (PubChem CID 44934229) has the molecular formula C25H26ClN3O2S and a molecular weight of 468.02 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide;hydrochloride
PubChem CID44934229
Molecular FormulaC25H26ClN3O2S
Molecular Weight468.02 g/mol
Exact Mass467.14
IUPAC NameN-(1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide;hydrochloride
SMILESCl.O=C(c1ccc2ccccc2c1)N(CCCN1CCOCC1)c1nc2ccccc2s1
InChIInChI=1S/C25H25N3O2S.ClH/c29-24(21-11-10-19-6-1-2-7-20(19)18-21)28(13-5-12-27-14-16-30-17-15-27)25-26-22-8-3-4-9-23(22)31-25;/h1-4,6-11,18H,5,12-17H2;1H
InChIKeyYBGVBBPZKZGMQY-UHFFFAOYSA-N
XLogP5.24
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.02
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-4-phenylbenzamide;hydrochloride
CID 44934172
N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide
CID 29070856
N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide;hydrochloride
CID 44934863
N-(1,3-benzothiazol-2-yl)-4-(dimethylsulfamoyl)-N-(3-morpholin-4-ylpropyl)benzamide;hydrochloride
CID 44899563
N-(1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-3-nitrobenzamide
CID 18581591
N-(1,3-benzothiazol-2-yl)-3-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 7622225
N-(1,3-benzothiazol-2-yl)-2-methylsulfanyl-N-(3-morpholin-4-ylpropyl)benzamide;hydrochloride
CID 44934267
3-bromo-N-(6-bromo-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)benzamide;hydrochloride
CID 44935802
N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 7615664
N-(1,3-benzothiazol-2-yl)-1,5-dimethyl-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide
CID 16847538
N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 7615588
N-(1,3-benzothiazol-2-yl)-4-[ethyl(phenyl)sulfamoyl]-N-(3-morpholin-4-ylpropyl)benzamide;hydrochloride
CID 44934249

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide;hydrochloride?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide;hydrochloride (CID 44934229) is N-(1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide;hydrochloride?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide;hydrochloride is Cl.O=C(c1ccc2ccccc2c1)N(CCCN1CCOCC1)c1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide;hydrochloride?
The InChIKey is YBGVBBPZKZGMQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O2S.ClH/c29-24(21-11-10-19-6-1-2-7-20(19)18-21)28(13-5-12-27-14-16-30-17-15-27)25-26-22-8-3-4-9-23(22)31-25;/h1-4,6-11,18H,5,12-17H2;1H.
What are the key properties of N-(1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide;hydrochloride?
N-(1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide;hydrochloride has a molecular weight of 468.02 g/mol, XLogP of 5.24, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide;hydrochloride is sourced from PubChem (CID 44934229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).