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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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).