N-benzyl-4-(dimethylamino)-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide

C24H23N3OS — CID 41055287

IUPACN-benzyl-4-(dimethylamino)-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
SMILESCc1ccc2nc(N(Cc3ccccc3)C(=O)c3ccc(N(C)C)cc3)sc2c1
InChIInChI=1S/C24H23N3OS/c1-17-9-14-21-22(15-17)29-24(25-21)27(16-18-7-5-4-6-8-18)23(28)19-10-12-20(13-11-19)26(2)3/h4-15H,16H2,1-3H3
InChIKeyQTQWCTZHGIENND-UHFFFAOYSA-N
MW401.54 g/mol
LogP5.52
Rot. Bonds5

About N-benzyl-4-(dimethylamino)-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide

N-benzyl-4-(dimethylamino)-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide (PubChem CID 41055287) has the molecular formula C24H23N3OS and a molecular weight of 401.54 g/mol. Its IUPAC name is N-benzyl-4-(dimethylamino)-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound NameN-benzyl-4-(dimethylamino)-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
PubChem CID41055287
Molecular FormulaC24H23N3OS
Molecular Weight401.54 g/mol
Exact Mass401.16
IUPAC NameN-benzyl-4-(dimethylamino)-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
SMILESCc1ccc2nc(N(Cc3ccccc3)C(=O)c3ccc(N(C)C)cc3)sc2c1
InChIInChI=1S/C24H23N3OS/c1-17-9-14-21-22(15-17)29-24(25-21)27(16-18-7-5-4-6-8-18)23(28)19-10-12-20(13-11-19)26(2)3/h4-15H,16H2,1-3H3
InChIKeyQTQWCTZHGIENND-UHFFFAOYSA-N
XLogP5.52
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.54
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzothiazol-2-yl)-N-benzyl-4-(dimethylamino)benzamide
CID 8613503
N-benzyl-3,4-dimethoxy-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 8670835
N-benzyl-4-(dimethylamino)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)benzamide
CID 41055294
N-benzyl-N-(6-methyl-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzamide
CID 41110127
N-benzyl-N-(6-methyl-1,3-benzothiazol-2-yl)-3,5-dinitrobenzamide
CID 41110107
N-benzyl-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)benzamide
CID 41116033
3-[[4-(dimethylamino)benzoyl]-(6-methyl-1,3-benzothiazol-2-yl)amino]propyl-dimethylazanium
CID 7162474
3-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)benzamide
CID 40508102
N-(6-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide
CID 40519225
N-[2-(dimethylamino)ethyl]-N-(6-methyl-1,3-benzothiazol-2-yl)-4-phenylbenzamide
CID 43958489
N-benzyl-2-(2,4-dimethylphenyl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
CID 41110131
N-[2-(dimethylamino)ethyl]-4-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 7507195

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(dimethylamino)-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of N-benzyl-4-(dimethylamino)-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide (CID 41055287) is N-benzyl-4-(dimethylamino)-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for N-benzyl-4-(dimethylamino)-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for N-benzyl-4-(dimethylamino)-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide is Cc1ccc2nc(N(Cc3ccccc3)C(=O)c3ccc(N(C)C)cc3)sc2c1.
What is the InChIKey of N-benzyl-4-(dimethylamino)-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is QTQWCTZHGIENND-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3OS/c1-17-9-14-21-22(15-17)29-24(25-21)27(16-18-7-5-4-6-8-18)23(28)19-10-12-20(13-11-19)26(2)3/h4-15H,16H2,1-3H3.
What are the key properties of N-benzyl-4-(dimethylamino)-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide?
N-benzyl-4-(dimethylamino)-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 401.54 g/mol, XLogP of 5.52, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(dimethylamino)-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 41055287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).