N-[2-(dimethylamino)ethyl]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide;hydrochloride

C24H26ClN3OS — CID 24761894

IUPACN-[2-(dimethylamino)ethyl]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide;hydrochloride
SMILESCc1cc(C)c2nc(N(CCN(C)C)C(=O)c3ccc4ccccc4c3)sc2c1.Cl
InChIInChI=1S/C24H25N3OS.ClH/c1-16-13-17(2)22-21(14-16)29-24(25-22)27(12-11-26(3)4)23(28)20-10-9-18-7-5-6-8-19(18)15-20;/h5-10,13-15H,11-12H2,1-4H3;1H
InChIKeyMHCANPKSGXZSTF-UHFFFAOYSA-N
MW440.01 g/mol
LogP5.70
Rot. Bonds5

About N-[2-(dimethylamino)ethyl]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide;hydrochloride

N-[2-(dimethylamino)ethyl]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide;hydrochloride (PubChem CID 24761894) has the molecular formula C24H26ClN3OS and a molecular weight of 440.01 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide;hydrochloride
PubChem CID24761894
Molecular FormulaC24H26ClN3OS
Molecular Weight440.01 g/mol
Exact Mass439.15
IUPAC NameN-[2-(dimethylamino)ethyl]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide;hydrochloride
SMILESCc1cc(C)c2nc(N(CCN(C)C)C(=O)c3ccc4ccccc4c3)sc2c1.Cl
InChIInChI=1S/C24H25N3OS.ClH/c1-16-13-17(2)22-21(14-16)29-24(25-22)27(12-11-26(3)4)23(28)20-10-9-18-7-5-6-8-19(18)15-20;/h5-10,13-15H,11-12H2,1-4H3;1H
InChIKeyMHCANPKSGXZSTF-UHFFFAOYSA-N
XLogP5.70
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.01
LogP ≤ 55.70
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-[2-(Dimethylamino)ethyl]-N-(4-methyl-1,3-benzothiazol-2-YL)naphthalene-2-carboxamide hydrochloride
CID 24761841
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
2-(cyclohexanecarboxamido)-N-(2-(naphthalen-2-ylmethylamino)ethyl)benzo[d]thiazole-6-carboxamide
CID 5274768
2-(3-Methyl-ureido)-benzothiazole-6-carboxylic acid (2,4,6-trimethyl-phenyl)-amide
CID 22634174
2-(3-Butyl-ureido)-benzothiazole-6-carboxylic acid (2,4,6-trimethyl-phenyl)-amide
CID 22634424
2-Acetylamino-benzothiazole-6-carboxylic acid (2,4,6-trimethyl-phenyl)-amide
CID 22634439
2-(3-Phenyl-ureido)-benzothiazole-6-carboxylic acid (2,4,6-trimethyl-phenyl)-amide
CID 22634489
2-(ethylcarbamoylamino)-N-[2-methyl-5-[(3-methylbenzoyl)amino]phenyl]-1,3-benzothiazole-6-carboxamide
CID 44454007
4-tert-butyl-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 836391

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide;hydrochloride?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide;hydrochloride (CID 24761894) is N-[2-(dimethylamino)ethyl]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide;hydrochloride is Cc1cc(C)c2nc(N(CCN(C)C)C(=O)c3ccc4ccccc4c3)sc2c1.Cl.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide;hydrochloride?
The InChIKey is MHCANPKSGXZSTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3OS.ClH/c1-16-13-17(2)22-21(14-16)29-24(25-22)27(12-11-26(3)4)23(28)20-10-9-18-7-5-6-8-19(18)15-20;/h5-10,13-15H,11-12H2,1-4H3;1H.
What are the key properties of N-[2-(dimethylamino)ethyl]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide;hydrochloride?
N-[2-(dimethylamino)ethyl]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide;hydrochloride has a molecular weight of 440.01 g/mol, XLogP of 5.70, 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-(4,6-dimethyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide;hydrochloride is sourced from PubChem (CID 24761894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).