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

C23H20N2OS — CID 41109544

IUPACN-(1,3-benzothiazol-2-yl)-N-benzyl-2,4-dimethylbenzamide
SMILESCc1ccc(C(=O)N(Cc2ccccc2)c2nc3ccccc3s2)c(C)c1
InChIInChI=1S/C23H20N2OS/c1-16-12-13-19(17(2)14-16)22(26)25(15-18-8-4-3-5-9-18)23-24-20-10-6-7-11-21(20)27-23/h3-14H,15H2,1-2H3
InChIKeyTXVIXYCLCKJXPD-UHFFFAOYSA-N
MW372.49 g/mol
LogP5.76
Rot. Bonds4

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

N-(1,3-benzothiazol-2-yl)-N-benzyl-2,4-dimethylbenzamide (PubChem CID 41109544) has the molecular formula C23H20N2OS and a molecular weight of 372.49 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-N-benzyl-2,4-dimethylbenzamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-N-benzyl-2,4-dimethylbenzamide
PubChem CID41109544
Molecular FormulaC23H20N2OS
Molecular Weight372.49 g/mol
Exact Mass372.13
IUPAC NameN-(1,3-benzothiazol-2-yl)-N-benzyl-2,4-dimethylbenzamide
SMILESCc1ccc(C(=O)N(Cc2ccccc2)c2nc3ccccc3s2)c(C)c1
InChIInChI=1S/C23H20N2OS/c1-16-12-13-19(17(2)14-16)22(26)25(15-18-8-4-3-5-9-18)23-24-20-10-6-7-11-21(20)27-23/h3-14H,15H2,1-2H3
InChIKeyTXVIXYCLCKJXPD-UHFFFAOYSA-N
XLogP5.76
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.49
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-2,4-dimethylbenzamide
CID 41110246
N-(1,3-benzothiazol-2-yl)-2,4-dimethyl-N-(pyridin-2-ylmethyl)benzamide
CID 40512387
2-[1,3-benzothiazol-2-yl-(2,4-dimethylbenzoyl)amino]ethyl-dimethylazanium
CID 7577330
N-benzyl-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2,4-dimethylbenzamide
CID 41110601
N-benzyl-2-(2,4-dimethylphenyl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
CID 41110131
N-benzyl-4-(dimethylamino)-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 41055287
N-(1,3-benzothiazol-2-yl)-N-benzyl-4-(dimethylamino)benzamide
CID 8613503
N-(1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2,5-dimethylbenzamide
CID 7577329
N-benzyl-3,4-dimethoxy-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 8670835
N-benzyl-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)benzamide
CID 41116033
N-(4-fluoro-1,3-benzothiazol-2-yl)-2,4-dimethyl-N-(pyridin-3-ylmethyl)benzamide
CID 18572551
N-(1,3-benzothiazol-2-yl)-N-benzyl-3-fluorobenzamide
CID 8670777

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-N-benzyl-2,4-dimethylbenzamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-N-benzyl-2,4-dimethylbenzamide (CID 41109544) is N-(1,3-benzothiazol-2-yl)-N-benzyl-2,4-dimethylbenzamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-N-benzyl-2,4-dimethylbenzamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-N-benzyl-2,4-dimethylbenzamide is Cc1ccc(C(=O)N(Cc2ccccc2)c2nc3ccccc3s2)c(C)c1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-N-benzyl-2,4-dimethylbenzamide?
The InChIKey is TXVIXYCLCKJXPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2OS/c1-16-12-13-19(17(2)14-16)22(26)25(15-18-8-4-3-5-9-18)23-24-20-10-6-7-11-21(20)27-23/h3-14H,15H2,1-2H3.
What are the key properties of N-(1,3-benzothiazol-2-yl)-N-benzyl-2,4-dimethylbenzamide?
N-(1,3-benzothiazol-2-yl)-N-benzyl-2,4-dimethylbenzamide has a molecular weight of 372.49 g/mol, XLogP of 5.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-N-benzyl-2,4-dimethylbenzamide is sourced from PubChem (CID 41109544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).