2-methyl-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide

C18H18N2OS — CID 5001748

IUPAC2-methyl-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
SMILESCc1ccccc1C(=O)/N=c1\sc2ccc(C)c(C)c2n1C
InChIInChI=1S/C18H18N2OS/c1-11-9-10-15-16(13(11)3)20(4)18(22-15)19-17(21)14-8-6-5-7-12(14)2/h5-10H,1-4H3/b19-18-
InChIKeyIMDBQYBJEAYCAD-HNENSFHCSA-N
MW310.42 g/mol
LogP3.91
Rot. Bonds1

About 2-methyl-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide

2-methyl-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide (PubChem CID 5001748) has the molecular formula C18H18N2OS and a molecular weight of 310.42 g/mol. Its IUPAC name is 2-methyl-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide.

Molecular Properties

Compound Name2-methyl-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
PubChem CID5001748
Molecular FormulaC18H18N2OS
Molecular Weight310.42 g/mol
Exact Mass310.11
IUPAC Name2-methyl-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
SMILESCc1ccccc1C(=O)/N=c1\sc2ccc(C)c(C)c2n1C
InChIInChI=1S/C18H18N2OS/c1-11-9-10-15-16(13(11)3)20(4)18(22-15)19-17(21)14-8-6-5-7-12(14)2/h5-10H,1-4H3/b19-18-
InChIKeyIMDBQYBJEAYCAD-HNENSFHCSA-N
XLogP3.91
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methylsulfanyl-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 40951787
2-ethylsulfonyl-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 7553153
4-fluoro-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 3345967
2,5-dimethoxy-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 16848905
3-methyl-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)-1,2-oxazole-5-carboxamide
CID 16879982
4-ethylsulfonyl-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 7553228
3,4-dimethoxy-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 3474147
N-(3,4-dimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 5224044
4-[methyl(phenyl)sulfamoyl]-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 2152779
N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)cyclohexanecarboxamide
CID 5112536
2-fluoro-N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide
CID 2151133
(3R)-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 7152537

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide?
The IUPAC name of 2-methyl-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide (CID 5001748) is 2-methyl-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide.
What is the SMILES notation for 2-methyl-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide?
The canonical SMILES for 2-methyl-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide is Cc1ccccc1C(=O)/N=c1\sc2ccc(C)c(C)c2n1C.
What is the InChIKey of 2-methyl-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide?
The InChIKey is IMDBQYBJEAYCAD-HNENSFHCSA-N. The full InChI is InChI=1S/C18H18N2OS/c1-11-9-10-15-16(13(11)3)20(4)18(22-15)19-17(21)14-8-6-5-7-12(14)2/h5-10H,1-4H3/b19-18-.
What are the key properties of 2-methyl-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide?
2-methyl-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide has a molecular weight of 310.42 g/mol, XLogP of 3.91, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide is sourced from PubChem (CID 5001748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).