N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(2-phenylethyl)benzamide

C24H22N2OS — CID 19226196

IUPACN-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(2-phenylethyl)benzamide
SMILESCc1cc(C)c2nc(NC(=O)c3ccccc3CCc3ccccc3)sc2c1
InChIInChI=1S/C24H22N2OS/c1-16-14-17(2)22-21(15-16)28-24(25-22)26-23(27)20-11-7-6-10-19(20)13-12-18-8-4-3-5-9-18/h3-11,14-15H,12-13H2,1-2H3,(H,25,26,27)
InChIKeyPLABOORSZIXSEP-UHFFFAOYSA-N
MW386.52 g/mol
LogP5.95
Rot. Bonds5

About N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(2-phenylethyl)benzamide

N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(2-phenylethyl)benzamide (PubChem CID 19226196) has the molecular formula C24H22N2OS and a molecular weight of 386.52 g/mol. Its IUPAC name is N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(2-phenylethyl)benzamide.

Molecular Properties

Compound NameN-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(2-phenylethyl)benzamide
PubChem CID19226196
Molecular FormulaC24H22N2OS
Molecular Weight386.52 g/mol
Exact Mass386.15
IUPAC NameN-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(2-phenylethyl)benzamide
SMILESCc1cc(C)c2nc(NC(=O)c3ccccc3CCc3ccccc3)sc2c1
InChIInChI=1S/C24H22N2OS/c1-16-14-17(2)22-21(15-16)28-24(25-22)26-23(27)20-11-7-6-10-19(20)13-12-18-8-4-3-5-9-18/h3-11,14-15H,12-13H2,1-2H3,(H,25,26,27)
InChIKeyPLABOORSZIXSEP-UHFFFAOYSA-N
XLogP5.95
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.52
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-fluorobenzamide
CID 813916
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)benzamide
CID 4307053
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(2-methylphenyl)acetamide
CID 30848217
N-benzyl-4,6-dimethyl-1,3-benzothiazol-2-amine
CID 2376092
2-chloro-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-iodobenzamide
CID 5218207
N-(2,5-dimethylphenyl)-2-(2-phenylethyl)benzamide
CID 19167579
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(4-phenylmethoxyphenoxy)acetamide
CID 7926935
2-(4-bromophenyl)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)acetamide
CID 7926926
3-chloro-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)pyridine-4-carboxamide
CID 66483121
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide
CID 4857240
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-iodobenzamide
CID 3318366
3-bromo-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)benzamide
CID 1085238

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(2-phenylethyl)benzamide?
The IUPAC name of N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(2-phenylethyl)benzamide (CID 19226196) is N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(2-phenylethyl)benzamide.
What is the SMILES notation for N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(2-phenylethyl)benzamide?
The canonical SMILES for N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(2-phenylethyl)benzamide is Cc1cc(C)c2nc(NC(=O)c3ccccc3CCc3ccccc3)sc2c1.
What is the InChIKey of N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(2-phenylethyl)benzamide?
The InChIKey is PLABOORSZIXSEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2OS/c1-16-14-17(2)22-21(15-16)28-24(25-22)26-23(27)20-11-7-6-10-19(20)13-12-18-8-4-3-5-9-18/h3-11,14-15H,12-13H2,1-2H3,(H,25,26,27).
What are the key properties of N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(2-phenylethyl)benzamide?
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(2-phenylethyl)benzamide has a molecular weight of 386.52 g/mol, XLogP of 5.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(2-phenylethyl)benzamide is sourced from PubChem (CID 19226196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).