N-benzyl-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-methylbenzamide

C24H22N2OS — CID 7917960

IUPACN-benzyl-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-methylbenzamide
SMILESCc1cccc(C(=O)N(Cc2ccccc2)c2nc3c(C)cc(C)cc3s2)c1
InChIInChI=1S/C24H22N2OS/c1-16-8-7-11-20(13-16)23(27)26(15-19-9-5-4-6-10-19)24-25-22-18(3)12-17(2)14-21(22)28-24/h4-14H,15H2,1-3H3
InChIKeySTAVUHJATIYOJL-UHFFFAOYSA-N
MW386.52 g/mol
LogP6.07
Rot. Bonds4

About N-benzyl-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-methylbenzamide

N-benzyl-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-methylbenzamide (PubChem CID 7917960) has the molecular formula C24H22N2OS and a molecular weight of 386.52 g/mol. Its IUPAC name is N-benzyl-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-methylbenzamide.

Molecular Properties

Compound NameN-benzyl-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-methylbenzamide
PubChem CID7917960
Molecular FormulaC24H22N2OS
Molecular Weight386.52 g/mol
Exact Mass386.15
IUPAC NameN-benzyl-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-methylbenzamide
SMILESCc1cccc(C(=O)N(Cc2ccccc2)c2nc3c(C)cc(C)cc3s2)c1
InChIInChI=1S/C24H22N2OS/c1-16-8-7-11-20(13-16)23(27)26(15-19-9-5-4-6-10-19)24-25-22-18(3)12-17(2)14-21(22)28-24/h4-14H,15H2,1-3H3
InChIKeySTAVUHJATIYOJL-UHFFFAOYSA-N
XLogP6.07
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.52
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-4-(dimethylamino)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)benzamide
CID 41055294
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 40519367
methyl 4-[benzyl-(4,6-dimethyl-1,3-benzothiazol-2-yl)carbamoyl]benzoate
CID 41110690
3-chloro-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)benzamide
CID 40694363
N-benzyl-3-chloro-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 41109583
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-propan-2-ylsulfanyl-N-(pyridin-3-ylmethyl)benzamide
CID 41319145
N-benzyl-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)pent-4-enamide
CID 52866190
N-benzyl-N-(6-methyl-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzamide
CID 41110127
N-[2-(dimethylamino)ethyl]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-phenoxybenzamide;hydrochloride
CID 44924539
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-fluoro-N-(pyridin-3-ylmethyl)benzamide
CID 40508327
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-methylsulfanyl-N-(pyridin-2-ylmethyl)benzamide
CID 40697594
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-methoxy-N-(pyridin-2-ylmethyl)benzamide
CID 40519370

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-methylbenzamide?
The IUPAC name of N-benzyl-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-methylbenzamide (CID 7917960) is N-benzyl-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-methylbenzamide.
What is the SMILES notation for N-benzyl-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-methylbenzamide?
The canonical SMILES for N-benzyl-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-methylbenzamide is Cc1cccc(C(=O)N(Cc2ccccc2)c2nc3c(C)cc(C)cc3s2)c1.
What is the InChIKey of N-benzyl-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-methylbenzamide?
The InChIKey is STAVUHJATIYOJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2OS/c1-16-8-7-11-20(13-16)23(27)26(15-19-9-5-4-6-10-19)24-25-22-18(3)12-17(2)14-21(22)28-24/h4-14H,15H2,1-3H3.
What are the key properties of N-benzyl-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-methylbenzamide?
N-benzyl-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-methylbenzamide has a molecular weight of 386.52 g/mol, XLogP of 6.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-methylbenzamide is sourced from PubChem (CID 7917960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).