N-[2-(dimethylamino)ethyl]-N-(4-methyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide;hydrochloride

C23H24ClN3OS — CID 24761841

IUPACN-[2-(dimethylamino)ethyl]-N-(4-methyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide;hydrochloride
SMILESCc1cccc2sc(N(CCN(C)C)C(=O)c3ccc4ccccc4c3)nc12.Cl
InChIInChI=1S/C23H23N3OS.ClH/c1-16-7-6-10-20-21(16)24-23(28-20)26(14-13-25(2)3)22(27)19-12-11-17-8-4-5-9-18(17)15-19;/h4-12,15H,13-14H2,1-3H3;1H
InChIKeyCNMNGLQDRHNMIZ-UHFFFAOYSA-N
MW425.99 g/mol
LogP5.39
Rot. Bonds5

About N-[2-(dimethylamino)ethyl]-N-(4-methyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide;hydrochloride

N-[2-(dimethylamino)ethyl]-N-(4-methyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide;hydrochloride (PubChem CID 24761841) has the molecular formula C23H24ClN3OS and a molecular weight of 425.99 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N-(4-methyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N-(4-methyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide;hydrochloride
PubChem CID24761841
Molecular FormulaC23H24ClN3OS
Molecular Weight425.99 g/mol
Exact Mass425.13
IUPAC NameN-[2-(dimethylamino)ethyl]-N-(4-methyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide;hydrochloride
SMILESCc1cccc2sc(N(CCN(C)C)C(=O)c3ccc4ccccc4c3)nc12.Cl
InChIInChI=1S/C23H23N3OS.ClH/c1-16-7-6-10-20-21(16)24-23(28-20)26(14-13-25(2)3)22(27)19-12-11-17-8-4-5-9-18(17)15-19;/h4-12,15H,13-14H2,1-3H3;1H
InChIKeyCNMNGLQDRHNMIZ-UHFFFAOYSA-N
XLogP5.39
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.99
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-Benzothiazol-2-YL)-1-naphthamide
CID 708647
N-(4,6-Difluoro-1,3-benzothiazol-2-YL)-N-[2-(dimethylamino)ethyl]naphthalene-2-carboxamide hydrochloride
CID 24761847
N-(4,5-Dimethyl-1,3-benzothiazol-2-YL)-N-[2-(dimethylamino)ethyl]naphthalene-2-carboxamide hydrochloride
CID 24761876
N-[2-(Dimethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-YL)naphthalene-2-carboxamide hydrochloride
CID 24761888
N-(4,6-Dimethyl-1,3-benzothiazol-2-YL)-N-[2-(dimethylamino)ethyl]naphthalene-2-carboxamide hydrochloride
CID 24761894
2-(cyclohexanecarboxamido)-N-(2-(naphthalen-2-ylmethylamino)ethyl)benzo[d]thiazole-6-carboxamide
CID 5274768
2-(1,3-dioxo-2-isoindolyl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide
CID 1241849
N-(1,3-benzothiazol-2-yl)-3-methyl-N-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
CID 2413193
N-(6-ethyl-1,3-benzothiazol-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 2544457
2-{1-[3-(1,3-benzothiazol-2-yl)-4-oxo-3,4-dihydro-2-quinazolinyl]propyl}-1H-isoindole-1,3(2H)-dione
CID 2948068
N-(4,5-dimethylbenzo[d]thiazol-2-yl)-2-(1,3-dioxoisoindolin-2-yl)acetamide
CID 4053409
2-(cyclohexanecarboxamido)-N-(3-(naphthalen-2-ylmethylamino)propyl)benzo[d]thiazole-6-carboxamide
CID 5274769

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N-(4-methyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide;hydrochloride?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N-(4-methyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide;hydrochloride (CID 24761841) is N-[2-(dimethylamino)ethyl]-N-(4-methyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N-(4-methyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N-(4-methyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide;hydrochloride is Cc1cccc2sc(N(CCN(C)C)C(=O)c3ccc4ccccc4c3)nc12.Cl.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N-(4-methyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide;hydrochloride?
The InChIKey is CNMNGLQDRHNMIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3OS.ClH/c1-16-7-6-10-20-21(16)24-23(28-20)26(14-13-25(2)3)22(27)19-12-11-17-8-4-5-9-18(17)15-19;/h4-12,15H,13-14H2,1-3H3;1H.
What are the key properties of N-[2-(dimethylamino)ethyl]-N-(4-methyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide;hydrochloride?
N-[2-(dimethylamino)ethyl]-N-(4-methyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide;hydrochloride has a molecular weight of 425.99 g/mol, XLogP of 5.39, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-N-(4-methyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide;hydrochloride is sourced from PubChem (CID 24761841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).