N-(6-acetamido-1,3-benzothiazol-2-yl)-3,4-dimethylbenzamide

C18H17N3O2S — CID 952086

IUPACN-(6-acetamido-1,3-benzothiazol-2-yl)-3,4-dimethylbenzamide
SMILESCC(=O)Nc1ccc2nc(NC(=O)c3ccc(C)c(C)c3)sc2c1
InChIInChI=1S/C18H17N3O2S/c1-10-4-5-13(8-11(10)2)17(23)21-18-20-15-7-6-14(19-12(3)22)9-16(15)24-18/h4-9H,1-3H3,(H,19,22)(H,20,21,23)
InChIKeyRAWIAEBHACDAQX-UHFFFAOYSA-N
MW339.42 g/mol
LogP4.12
Rot. Bonds3

About N-(6-acetamido-1,3-benzothiazol-2-yl)-3,4-dimethylbenzamide

N-(6-acetamido-1,3-benzothiazol-2-yl)-3,4-dimethylbenzamide (PubChem CID 952086) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is N-(6-acetamido-1,3-benzothiazol-2-yl)-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-(6-acetamido-1,3-benzothiazol-2-yl)-3,4-dimethylbenzamide
PubChem CID952086
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC NameN-(6-acetamido-1,3-benzothiazol-2-yl)-3,4-dimethylbenzamide
SMILESCC(=O)Nc1ccc2nc(NC(=O)c3ccc(C)c(C)c3)sc2c1
InChIInChI=1S/C18H17N3O2S/c1-10-4-5-13(8-11(10)2)17(23)21-18-20-15-7-6-14(19-12(3)22)9-16(15)24-18/h4-9H,1-3H3,(H,19,22)(H,20,21,23)
InChIKeyRAWIAEBHACDAQX-UHFFFAOYSA-N
XLogP4.12
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-[2-[(4-methylbenzoyl)amino]-1,3-benzothiazol-6-yl]benzamide
CID 23741959
N-(6-acetamido-1,3-benzothiazol-2-yl)-2,4-dimethylbenzamide
CID 4557017
N-[2-[(3,4-dimethoxybenzoyl)amino]-1,3-benzothiazol-6-yl]-3,4-dimethoxybenzamide
CID 17273906
3-acetamido-4-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 46484893
N-(6-acetamido-1,3-benzothiazol-2-yl)-4-methoxy-3-nitrobenzamide
CID 5239584
N-(6-acetamido-1,3-benzothiazol-2-yl)-3-(trifluoromethyl)benzamide
CID 2374848
2-amino-N-(3,4-dimethylphenyl)-1,3-benzothiazole-6-carboxamide
CID 60636051
N-(6-acetamido-1,3-benzothiazol-2-yl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 134046171
N-(6-acetamido-1,3-benzothiazol-2-yl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 134052955
3,5-diacetamido-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 35983210
N-[2-(naphthalene-2-carbonylamino)-1,3-benzothiazol-6-yl]naphthalene-2-carboxamide
CID 4025738
N-(6-acetamido-1,3-benzothiazol-2-yl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 43043166

Frequently Asked Questions

What is the IUPAC name of N-(6-acetamido-1,3-benzothiazol-2-yl)-3,4-dimethylbenzamide?
The IUPAC name of N-(6-acetamido-1,3-benzothiazol-2-yl)-3,4-dimethylbenzamide (CID 952086) is N-(6-acetamido-1,3-benzothiazol-2-yl)-3,4-dimethylbenzamide.
What is the SMILES notation for N-(6-acetamido-1,3-benzothiazol-2-yl)-3,4-dimethylbenzamide?
The canonical SMILES for N-(6-acetamido-1,3-benzothiazol-2-yl)-3,4-dimethylbenzamide is CC(=O)Nc1ccc2nc(NC(=O)c3ccc(C)c(C)c3)sc2c1.
What is the InChIKey of N-(6-acetamido-1,3-benzothiazol-2-yl)-3,4-dimethylbenzamide?
The InChIKey is RAWIAEBHACDAQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c1-10-4-5-13(8-11(10)2)17(23)21-18-20-15-7-6-14(19-12(3)22)9-16(15)24-18/h4-9H,1-3H3,(H,19,22)(H,20,21,23).
What are the key properties of N-(6-acetamido-1,3-benzothiazol-2-yl)-3,4-dimethylbenzamide?
N-(6-acetamido-1,3-benzothiazol-2-yl)-3,4-dimethylbenzamide has a molecular weight of 339.42 g/mol, XLogP of 4.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-acetamido-1,3-benzothiazol-2-yl)-3,4-dimethylbenzamide is sourced from PubChem (CID 952086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).