N-(1,3-benzothiazol-2-yl)-N-benzyl-4-(dimethylamino)benzamide

C23H21N3OS — CID 8613503

IUPACN-(1,3-benzothiazol-2-yl)-N-benzyl-4-(dimethylamino)benzamide
SMILESCN(C)c1ccc(C(=O)N(Cc2ccccc2)c2nc3ccccc3s2)cc1
InChIInChI=1S/C23H21N3OS/c1-25(2)19-14-12-18(13-15-19)22(27)26(16-17-8-4-3-5-9-17)23-24-20-10-6-7-11-21(20)28-23/h3-15H,16H2,1-2H3
InChIKeyXGCIOIVGFZFPRX-UHFFFAOYSA-N
MW387.51 g/mol
LogP5.21
Rot. Bonds5

About N-(1,3-benzothiazol-2-yl)-N-benzyl-4-(dimethylamino)benzamide

N-(1,3-benzothiazol-2-yl)-N-benzyl-4-(dimethylamino)benzamide (PubChem CID 8613503) has the molecular formula C23H21N3OS and a molecular weight of 387.51 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-N-benzyl-4-(dimethylamino)benzamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-N-benzyl-4-(dimethylamino)benzamide
PubChem CID8613503
Molecular FormulaC23H21N3OS
Molecular Weight387.51 g/mol
Exact Mass387.14
IUPAC NameN-(1,3-benzothiazol-2-yl)-N-benzyl-4-(dimethylamino)benzamide
SMILESCN(C)c1ccc(C(=O)N(Cc2ccccc2)c2nc3ccccc3s2)cc1
InChIInChI=1S/C23H21N3OS/c1-25(2)19-14-12-18(13-15-19)22(27)26(16-17-8-4-3-5-9-17)23-24-20-10-6-7-11-21(20)28-23/h3-15H,16H2,1-2H3
InChIKeyXGCIOIVGFZFPRX-UHFFFAOYSA-N
XLogP5.21
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.51
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-4-(dimethylamino)-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 41055287
N-(1,3-benzothiazol-2-yl)-N-benzyl-4-(diethylsulfamoyl)benzamide
CID 41109487
N-benzyl-4-(dimethylamino)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)benzamide
CID 41055294
N-(1,3-benzothiazol-2-yl)-N-benzyl-3-bromobenzamide
CID 41109489
N-(1,3-benzothiazol-2-yl)-N-benzyl-3-fluorobenzamide
CID 8670777
N-(1,3-benzothiazol-2-yl)-N-benzyl-1,3-benzodioxole-5-carboxamide
CID 41106848
N-(1,3-benzothiazol-2-yl)-N-benzyl-2,4-dimethylbenzamide
CID 41109544
N-benzyl-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)benzamide
CID 41116033
N-(1,3-benzothiazol-2-yl)-4-[benzyl(methyl)sulfamoyl]-N-[2-(diethylamino)ethyl]benzamide;hydrochloride
CID 44922800
N-benzyl-N-(6-chloro-1,3-benzothiazol-2-yl)-4-fluorobenzamide
CID 41110353
N-(1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-4-fluorobenzamide;hydrochloride
CID 44922628
N-benzyl-3,4-dimethoxy-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 8670835

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-N-benzyl-4-(dimethylamino)benzamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-N-benzyl-4-(dimethylamino)benzamide (CID 8613503) is N-(1,3-benzothiazol-2-yl)-N-benzyl-4-(dimethylamino)benzamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-N-benzyl-4-(dimethylamino)benzamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-N-benzyl-4-(dimethylamino)benzamide is CN(C)c1ccc(C(=O)N(Cc2ccccc2)c2nc3ccccc3s2)cc1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-N-benzyl-4-(dimethylamino)benzamide?
The InChIKey is XGCIOIVGFZFPRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3OS/c1-25(2)19-14-12-18(13-15-19)22(27)26(16-17-8-4-3-5-9-17)23-24-20-10-6-7-11-21(20)28-23/h3-15H,16H2,1-2H3.
What are the key properties of N-(1,3-benzothiazol-2-yl)-N-benzyl-4-(dimethylamino)benzamide?
N-(1,3-benzothiazol-2-yl)-N-benzyl-4-(dimethylamino)benzamide has a molecular weight of 387.51 g/mol, XLogP of 5.21, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-N-benzyl-4-(dimethylamino)benzamide is sourced from PubChem (CID 8613503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).