4-methoxy-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide

C18H18N2O2S — CID 54003528

IUPAC4-methoxy-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide
SMILESCOc1cc(C(=O)Nc2c(C)cc(C)cc2C)cc2scnc12
InChIInChI=1S/C18H18N2O2S/c1-10-5-11(2)16(12(3)6-10)20-18(21)13-7-14(22-4)17-15(8-13)23-9-19-17/h5-9H,1-4H3,(H,20,21)
InChIKeyKGOQCMKUQMZQGA-UHFFFAOYSA-N
MW326.42 g/mol
LogP4.48
Rot. Bonds3

About 4-methoxy-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide

4-methoxy-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide (PubChem CID 54003528) has the molecular formula C18H18N2O2S and a molecular weight of 326.42 g/mol. Its IUPAC name is 4-methoxy-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound Name4-methoxy-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide
PubChem CID54003528
Molecular FormulaC18H18N2O2S
Molecular Weight326.42 g/mol
Exact Mass326.11
IUPAC Name4-methoxy-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide
SMILESCOc1cc(C(=O)Nc2c(C)cc(C)cc2C)cc2scnc12
InChIInChI=1S/C18H18N2O2S/c1-10-5-11(2)16(12(3)6-10)20-18(21)13-7-14(22-4)17-15(8-13)23-9-19-17/h5-9H,1-4H3,(H,20,21)
InChIKeyKGOQCMKUQMZQGA-UHFFFAOYSA-N
XLogP4.48
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-2-(methylcarbamoylamino)-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide
CID 22634495
4-amino-3-methoxy-N-(2,4,6-trimethylphenyl)benzamide
CID 104782317
3,5-dimethyl-N-(2,4,6-trimethylphenyl)benzamide
CID 918543
3-bromo-5-methyl-N-(2,4,6-trimethylphenyl)benzamide
CID 104851725
5-bromo-N-(2,4,6-trimethylphenyl)thiophene-3-carboxamide
CID 43424527
6-bromo-4-methoxy-1,3-benzothiazole
CID 130937417
[(2R)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] 1,3-benzothiazole-6-carboxylate
CID 2596907
3-amino-5-methoxy-N-(2,4,6-trimethylphenyl)benzamide
CID 78984369
N-(2,6-dimethylphenyl)-1,3-benzothiazole-6-carboxamide
CID 16546690
3,5-difluoro-N-(2,4,6-trimethylphenyl)benzamide
CID 4815673
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 1,3-benzothiazole-6-carboxylate
CID 2597185
N-(1,3-benzothiazol-5-yl)-3,4,5-trimethoxybenzamide
CID 18585505

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide?
The IUPAC name of 4-methoxy-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide (CID 54003528) is 4-methoxy-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for 4-methoxy-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for 4-methoxy-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide is COc1cc(C(=O)Nc2c(C)cc(C)cc2C)cc2scnc12.
What is the InChIKey of 4-methoxy-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide?
The InChIKey is KGOQCMKUQMZQGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2S/c1-10-5-11(2)16(12(3)6-10)20-18(21)13-7-14(22-4)17-15(8-13)23-9-19-17/h5-9H,1-4H3,(H,20,21).
What are the key properties of 4-methoxy-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide?
4-methoxy-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide has a molecular weight of 326.42 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 54003528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).