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

C16H14N2OS — CID 4307053

IUPACN-(4,6-dimethyl-1,3-benzothiazol-2-yl)benzamide
SMILESCc1cc(C)c2nc(NC(=O)c3ccccc3)sc2c1
InChIInChI=1S/C16H14N2OS/c1-10-8-11(2)14-13(9-10)20-16(17-14)18-15(19)12-6-4-3-5-7-12/h3-9H,1-2H3,(H,17,18,19)
InChIKeyPKNRUSZZQGAAJC-UHFFFAOYSA-N
MW282.37 g/mol
LogP4.17
Rot. Bonds2

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

N-(4,6-dimethyl-1,3-benzothiazol-2-yl)benzamide (PubChem CID 4307053) has the molecular formula C16H14N2OS and a molecular weight of 282.37 g/mol. Its IUPAC name is N-(4,6-dimethyl-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound NameN-(4,6-dimethyl-1,3-benzothiazol-2-yl)benzamide
PubChem CID4307053
Molecular FormulaC16H14N2OS
Molecular Weight282.37 g/mol
Exact Mass282.08
IUPAC NameN-(4,6-dimethyl-1,3-benzothiazol-2-yl)benzamide
SMILESCc1cc(C)c2nc(NC(=O)c3ccccc3)sc2c1
InChIInChI=1S/C16H14N2OS/c1-10-8-11(2)14-13(9-10)20-16(17-14)18-15(19)12-6-4-3-5-7-12/h3-9H,1-2H3,(H,17,18,19)
InChIKeyPKNRUSZZQGAAJC-UHFFFAOYSA-N
XLogP4.17
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-fluorobenzamide
CID 813916
5-bromo-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)thiophene-3-carboxamide
CID 60735708
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-iodothiophene-3-carboxamide
CID 79693774
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-ethylsulfonylbenzamide
CID 7579392
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-(1,3-dioxoisoindol-2-yl)benzamide
CID 4854567
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-(dimethylsulfamoyl)benzamide
CID 1355448
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-propan-2-ylsulfonylbenzamide
CID 41147823
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-(dimethylsulfamoyl)benzamide
CID 2460785
N-[4-methyl-6-(3-methylbutanoylamino)-1,3-benzothiazol-2-yl]benzamide
CID 46291137
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide
CID 4857240

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethyl-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of N-(4,6-dimethyl-1,3-benzothiazol-2-yl)benzamide (CID 4307053) is N-(4,6-dimethyl-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for N-(4,6-dimethyl-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for N-(4,6-dimethyl-1,3-benzothiazol-2-yl)benzamide is Cc1cc(C)c2nc(NC(=O)c3ccccc3)sc2c1.
What is the InChIKey of N-(4,6-dimethyl-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is PKNRUSZZQGAAJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2OS/c1-10-8-11(2)14-13(9-10)20-16(17-14)18-15(19)12-6-4-3-5-7-12/h3-9H,1-2H3,(H,17,18,19).
What are the key properties of N-(4,6-dimethyl-1,3-benzothiazol-2-yl)benzamide?
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 282.37 g/mol, XLogP of 4.17, 2 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)benzamide is sourced from PubChem (CID 4307053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).