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

C26H28ClN3O3S — CID 44932961

IUPACN-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)naphthalene-1-carboxamide;hydrochloride
SMILESCCOc1cccc2sc(N(CCN3CCOCC3)C(=O)c3cccc4ccccc34)nc12.Cl
InChIInChI=1S/C26H27N3O3S.ClH/c1-2-32-22-11-6-12-23-24(22)27-26(33-23)29(14-13-28-15-17-31-18-16-28)25(30)21-10-5-8-19-7-3-4-9-20(19)21;/h3-12H,2,13-18H2,1H3;1H
InChIKeyIIYLNWBEPKVWKC-UHFFFAOYSA-N
MW498.05 g/mol
LogP5.25
Rot. Bonds7

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

N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)naphthalene-1-carboxamide;hydrochloride (PubChem CID 44932961) has the molecular formula C26H28ClN3O3S and a molecular weight of 498.05 g/mol. Its IUPAC name is N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)naphthalene-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)naphthalene-1-carboxamide;hydrochloride
PubChem CID44932961
Molecular FormulaC26H28ClN3O3S
Molecular Weight498.05 g/mol
Exact Mass497.15
IUPAC NameN-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)naphthalene-1-carboxamide;hydrochloride
SMILESCCOc1cccc2sc(N(CCN3CCOCC3)C(=O)c3cccc4ccccc34)nc12.Cl
InChIInChI=1S/C26H27N3O3S.ClH/c1-2-32-22-11-6-12-23-24(22)27-26(33-23)29(14-13-28-15-17-31-18-16-28)25(30)21-10-5-8-19-7-3-4-9-20(19)21;/h3-12H,2,13-18H2,1H3;1H
InChIKeyIIYLNWBEPKVWKC-UHFFFAOYSA-N
XLogP5.25
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.05
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-4-oxochromene-3-carboxamide
CID 29137593
N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)furan-2-carboxamide;hydrochloride
CID 18583075
4-acetyl-N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide
CID 29137573
N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)quinoxaline-2-carboxamide
CID 43997942
N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 7615556
N-[2-(dimethylamino)ethyl]-N-(4-ethoxy-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide
CID 7508018
N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-4-phenylbenzamide
CID 43998597
N-(4-ethoxy-1,3-benzothiazol-2-yl)-3,4-dimethoxy-N-(2-morpholin-4-ylethyl)benzamide
CID 29137576
N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 29137594
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)naphthalene-1-carboxamide
CID 29138372
N-(4-ethoxy-1,3-benzothiazol-2-yl)-4-fluoro-N-(3-morpholin-4-ylpropyl)benzamide
CID 18581651
7-ethoxy-N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-1-benzofuran-2-carboxamide
CID 29195239

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)naphthalene-1-carboxamide;hydrochloride?
The IUPAC name of N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)naphthalene-1-carboxamide;hydrochloride (CID 44932961) is N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)naphthalene-1-carboxamide;hydrochloride.
What is the SMILES notation for N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)naphthalene-1-carboxamide;hydrochloride?
The canonical SMILES for N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)naphthalene-1-carboxamide;hydrochloride is CCOc1cccc2sc(N(CCN3CCOCC3)C(=O)c3cccc4ccccc34)nc12.Cl.
What is the InChIKey of N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)naphthalene-1-carboxamide;hydrochloride?
The InChIKey is IIYLNWBEPKVWKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O3S.ClH/c1-2-32-22-11-6-12-23-24(22)27-26(33-23)29(14-13-28-15-17-31-18-16-28)25(30)21-10-5-8-19-7-3-4-9-20(19)21;/h3-12H,2,13-18H2,1H3;1H.
What are the key properties of N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)naphthalene-1-carboxamide;hydrochloride?
N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)naphthalene-1-carboxamide;hydrochloride has a molecular weight of 498.05 g/mol, XLogP of 5.25, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)naphthalene-1-carboxamide;hydrochloride is sourced from PubChem (CID 44932961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).