2-bromo-N-(6-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]benzamide

C19H19BrClN3OS — CID 41347138

IUPAC2-bromo-N-(6-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]benzamide
SMILESCN(C)CCCN(C(=O)c1ccccc1Br)c1nc2ccc(Cl)cc2s1
InChIInChI=1S/C19H19BrClN3OS/c1-23(2)10-5-11-24(18(25)14-6-3-4-7-15(14)20)19-22-16-9-8-13(21)12-17(16)26-19/h3-4,6-9,12H,5,10-11H2,1-2H3
InChIKeyXCRDBKXNLYAXKN-UHFFFAOYSA-N
MW452.81 g/mol
LogP5.31
Rot. Bonds6

About 2-bromo-N-(6-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]benzamide

2-bromo-N-(6-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]benzamide (PubChem CID 41347138) has the molecular formula C19H19BrClN3OS and a molecular weight of 452.81 g/mol. Its IUPAC name is 2-bromo-N-(6-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-(6-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]benzamide
PubChem CID41347138
Molecular FormulaC19H19BrClN3OS
Molecular Weight452.81 g/mol
Exact Mass451.01
IUPAC Name2-bromo-N-(6-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]benzamide
SMILESCN(C)CCCN(C(=O)c1ccccc1Br)c1nc2ccc(Cl)cc2s1
InChIInChI=1S/C19H19BrClN3OS/c1-23(2)10-5-11-24(18(25)14-6-3-4-7-15(14)20)19-22-16-9-8-13(21)12-17(16)26-19/h3-4,6-9,12H,5,10-11H2,1-2H3
InChIKeyXCRDBKXNLYAXKN-UHFFFAOYSA-N
XLogP5.31
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.81
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-chloro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2-methylbenzamide
CID 7507632
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]-2,5-dimethylbenzamide;hydrochloride
CID 44929959
N-(6-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]acetamide
CID 7512171
N-(6-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-phenylquinoline-4-carboxamide
CID 43963620
N-(6-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]naphthalene-2-carboxamide;hydrochloride
CID 44929934
N-(6-bromo-1,3-benzothiazol-2-yl)-5-chloro-N-[3-(dimethylamino)propyl]-2-methoxybenzamide
CID 43964713
2,4-dichloro-N-[3-(dimethylamino)propyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide
CID 41347067
N-(6-chloro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2-ethylsulfanylbenzamide;hydrochloride
CID 44928001
N-(6-bromo-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-methoxybenzamide
CID 18563990
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]-1,3-benzothiazole-6-carboxamide
CID 16799066

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(6-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]benzamide?
The IUPAC name of 2-bromo-N-(6-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]benzamide (CID 41347138) is 2-bromo-N-(6-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]benzamide.
What is the SMILES notation for 2-bromo-N-(6-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]benzamide?
The canonical SMILES for 2-bromo-N-(6-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]benzamide is CN(C)CCCN(C(=O)c1ccccc1Br)c1nc2ccc(Cl)cc2s1.
What is the InChIKey of 2-bromo-N-(6-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]benzamide?
The InChIKey is XCRDBKXNLYAXKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrClN3OS/c1-23(2)10-5-11-24(18(25)14-6-3-4-7-15(14)20)19-22-16-9-8-13(21)12-17(16)26-19/h3-4,6-9,12H,5,10-11H2,1-2H3.
What are the key properties of 2-bromo-N-(6-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]benzamide?
2-bromo-N-(6-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]benzamide has a molecular weight of 452.81 g/mol, XLogP of 5.31, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(6-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]benzamide is sourced from PubChem (CID 41347138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).