N-[2-(dimethylamino)ethyl]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide;hydrochloride

C24H26ClN3OS — CID 24761876

IUPACN-[2-(dimethylamino)ethyl]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide;hydrochloride
SMILESCc1ccc2sc(N(CCN(C)C)C(=O)c3ccc4ccccc4c3)nc2c1C.Cl
InChIInChI=1S/C24H25N3OS.ClH/c1-16-9-12-21-22(17(16)2)25-24(29-21)27(14-13-26(3)4)23(28)20-11-10-18-7-5-6-8-19(18)15-20;/h5-12,15H,13-14H2,1-4H3;1H
InChIKeyWNOOEHKSGLQDRQ-UHFFFAOYSA-N
MW440.01 g/mol
LogP5.70
Rot. Bonds5

About N-[2-(dimethylamino)ethyl]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide;hydrochloride

N-[2-(dimethylamino)ethyl]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide;hydrochloride (PubChem CID 24761876) has the molecular formula C24H26ClN3OS and a molecular weight of 440.01 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide;hydrochloride
PubChem CID24761876
Molecular FormulaC24H26ClN3OS
Molecular Weight440.01 g/mol
Exact Mass439.15
IUPAC NameN-[2-(dimethylamino)ethyl]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide;hydrochloride
SMILESCc1ccc2sc(N(CCN(C)C)C(=O)c3ccc4ccccc4c3)nc2c1C.Cl
InChIInChI=1S/C24H25N3OS.ClH/c1-16-9-12-21-22(17(16)2)25-24(29-21)27(14-13-26(3)4)23(28)20-11-10-18-7-5-6-8-19(18)15-20;/h5-12,15H,13-14H2,1-4H3;1H
InChIKeyWNOOEHKSGLQDRQ-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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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide;hydrochloride?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide;hydrochloride (CID 24761876) is N-[2-(dimethylamino)ethyl]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide;hydrochloride is Cc1ccc2sc(N(CCN(C)C)C(=O)c3ccc4ccccc4c3)nc2c1C.Cl.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide;hydrochloride?
The InChIKey is WNOOEHKSGLQDRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3OS.ClH/c1-16-9-12-21-22(17(16)2)25-24(29-21)27(14-13-26(3)4)23(28)20-11-10-18-7-5-6-8-19(18)15-20;/h5-12,15H,13-14H2,1-4H3;1H.
What are the key properties of N-[2-(dimethylamino)ethyl]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide;hydrochloride?
N-[2-(dimethylamino)ethyl]-N-(4,5-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-(4,5-dimethyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide;hydrochloride is sourced from PubChem (CID 24761876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).