N-(6-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]naphthalene-2-carboxamide;hydrochloride

C23H23Cl2N3OS — CID 44929934

IUPACN-(6-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]naphthalene-2-carboxamide;hydrochloride
SMILESCN(C)CCCN(C(=O)c1ccc2ccccc2c1)c1nc2ccc(Cl)cc2s1.Cl
InChIInChI=1S/C23H22ClN3OS.ClH/c1-26(2)12-5-13-27(23-25-20-11-10-19(24)15-21(20)29-23)22(28)18-9-8-16-6-3-4-7-17(16)14-18;/h3-4,6-11,14-15H,5,12-13H2,1-2H3;1H
InChIKeyBOJHEXHGKRJWDL-UHFFFAOYSA-N
MW460.43 g/mol
LogP6.12
Rot. Bonds6

About N-(6-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]naphthalene-2-carboxamide;hydrochloride

N-(6-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]naphthalene-2-carboxamide;hydrochloride (PubChem CID 44929934) has the molecular formula C23H23Cl2N3OS and a molecular weight of 460.43 g/mol. Its IUPAC name is N-(6-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]naphthalene-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(6-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]naphthalene-2-carboxamide;hydrochloride
PubChem CID44929934
Molecular FormulaC23H23Cl2N3OS
Molecular Weight460.43 g/mol
Exact Mass459.09
IUPAC NameN-(6-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]naphthalene-2-carboxamide;hydrochloride
SMILESCN(C)CCCN(C(=O)c1ccc2ccccc2c1)c1nc2ccc(Cl)cc2s1.Cl
InChIInChI=1S/C23H22ClN3OS.ClH/c1-26(2)12-5-13-27(23-25-20-11-10-19(24)15-21(20)29-23)22(28)18-9-8-16-6-3-4-7-17(16)14-18;/h3-4,6-11,14-15H,5,12-13H2,1-2H3;1H
InChIKeyBOJHEXHGKRJWDL-UHFFFAOYSA-N
XLogP6.12
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.43
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]naphthalene-2-carboxamide
CID 43963640
N-(6-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-4-methoxybenzamide
CID 7512181
N-(6-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-4-ethylsulfanylbenzamide;hydrochloride
CID 44931931
N-(6-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]quinoxaline-6-carboxamide
CID 43964958
N-(6-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-3-ethylsulfanylbenzamide;hydrochloride
CID 44931927
N-(1,3-benzothiazol-2-yl)-3-chloro-N-[3-(dimethylamino)propyl]benzamide
CID 7577445
N-(6-chloro-1,3-benzothiazol-2-yl)-4-cyano-N-[3-(dimethylamino)propyl]benzamide;hydrochloride
CID 16799056
N-(6-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-1,3-benzothiazole-6-carboxamide
CID 16799066
N-(6-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide;hydrochloride
CID 44929912
3-butoxy-N-(6-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]benzamide
CID 43963629
2-bromo-N-(6-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]benzamide
CID 41347138
N-(6-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]acetamide
CID 7512171

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]naphthalene-2-carboxamide;hydrochloride?
The IUPAC name of N-(6-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]naphthalene-2-carboxamide;hydrochloride (CID 44929934) is N-(6-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]naphthalene-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(6-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]naphthalene-2-carboxamide;hydrochloride?
The canonical SMILES for N-(6-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]naphthalene-2-carboxamide;hydrochloride is CN(C)CCCN(C(=O)c1ccc2ccccc2c1)c1nc2ccc(Cl)cc2s1.Cl.
What is the InChIKey of N-(6-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]naphthalene-2-carboxamide;hydrochloride?
The InChIKey is BOJHEXHGKRJWDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN3OS.ClH/c1-26(2)12-5-13-27(23-25-20-11-10-19(24)15-21(20)29-23)22(28)18-9-8-16-6-3-4-7-17(16)14-18;/h3-4,6-11,14-15H,5,12-13H2,1-2H3;1H.
What are the key properties of N-(6-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]naphthalene-2-carboxamide;hydrochloride?
N-(6-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]naphthalene-2-carboxamide;hydrochloride has a molecular weight of 460.43 g/mol, XLogP of 6.12, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]naphthalene-2-carboxamide;hydrochloride is sourced from PubChem (CID 44929934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).