N-(2,6-dimethylphenyl)-1,3-benzothiazole-6-carboxamide

C16H14N2OS — CID 16546690

IUPACN-(2,6-dimethylphenyl)-1,3-benzothiazole-6-carboxamide
SMILESCc1cccc(C)c1NC(=O)c1ccc2ncsc2c1
InChIInChI=1S/C16H14N2OS/c1-10-4-3-5-11(2)15(10)18-16(19)12-6-7-13-14(8-12)20-9-17-13/h3-9H,1-2H3,(H,18,19)
InChIKeyBLAPUKPNBUAWEM-UHFFFAOYSA-N
MW282.37 g/mol
LogP4.17
Rot. Bonds2

About N-(2,6-dimethylphenyl)-1,3-benzothiazole-6-carboxamide

N-(2,6-dimethylphenyl)-1,3-benzothiazole-6-carboxamide (PubChem CID 16546690) has the molecular formula C16H14N2OS and a molecular weight of 282.37 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-1,3-benzothiazole-6-carboxamide
PubChem CID16546690
Molecular FormulaC16H14N2OS
Molecular Weight282.37 g/mol
Exact Mass282.08
IUPAC NameN-(2,6-dimethylphenyl)-1,3-benzothiazole-6-carboxamide
SMILESCc1cccc(C)c1NC(=O)c1ccc2ncsc2c1
InChIInChI=1S/C16H14N2OS/c1-10-4-3-5-11(2)15(10)18-16(19)12-6-7-13-14(8-12)20-9-17-13/h3-9H,1-2H3,(H,18,19)
InChIKeyBLAPUKPNBUAWEM-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-methyl-1H-pyrazol-5-yl)-1,3-benzothiazole-6-carboxamide
CID 112691395
methyl 3-(1,3-benzothiazole-6-carbonylamino)benzoate
CID 4797242
N-(1,3-benzothiazol-6-yl)-3-hydroxy-4-methylbenzamide
CID 103956522
N-(1,3-benzothiazol-6-yl)-4-methylbenzamide
CID 2337792
N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide
CID 7533286
N-[4,5-dimethyl-3-(methylcarbamoyl)thiophen-2-yl]-1,3-benzothiazole-6-carboxamide
CID 7287220
N-(4-cyanophenyl)-1,3-benzothiazole-6-carboxamide
CID 2092315
N-(3,4,5-trimethoxyphenyl)-1,3-benzothiazole-6-carboxamide
CID 2488235
N-(2-amino-2-methylpropyl)-1,3-benzothiazole-6-carboxamide
CID 23111144
N-[3-(1,3-benzothiazol-2-yl)phenyl]-1,3-benzothiazole-6-carboxamide
CID 7096358
N-(1-phenylethyl)-1,3-benzothiazole-6-carboxamide
CID 4571608
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 1,3-benzothiazole-6-carboxylate
CID 2597185

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-1,3-benzothiazole-6-carboxamide?
The IUPAC name of N-(2,6-dimethylphenyl)-1,3-benzothiazole-6-carboxamide (CID 16546690) is N-(2,6-dimethylphenyl)-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-1,3-benzothiazole-6-carboxamide is Cc1cccc(C)c1NC(=O)c1ccc2ncsc2c1.
What is the InChIKey of N-(2,6-dimethylphenyl)-1,3-benzothiazole-6-carboxamide?
The InChIKey is BLAPUKPNBUAWEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2OS/c1-10-4-3-5-11(2)15(10)18-16(19)12-6-7-13-14(8-12)20-9-17-13/h3-9H,1-2H3,(H,18,19).
What are the key properties of N-(2,6-dimethylphenyl)-1,3-benzothiazole-6-carboxamide?
N-(2,6-dimethylphenyl)-1,3-benzothiazole-6-carboxamide 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-(2,6-dimethylphenyl)-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 16546690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).