N-(1,3-benzothiazol-6-yl)-2-(2,4-dimethylphenyl)acetamide

C17H16N2OS — CID 41085216

IUPACN-(1,3-benzothiazol-6-yl)-2-(2,4-dimethylphenyl)acetamide
SMILESCc1ccc(CC(=O)Nc2ccc3ncsc3c2)c(C)c1
InChIInChI=1S/C17H16N2OS/c1-11-3-4-13(12(2)7-11)8-17(20)19-14-5-6-15-16(9-14)21-10-18-15/h3-7,9-10H,8H2,1-2H3,(H,19,20)
InChIKeyCEXSKVNIRQCXMX-UHFFFAOYSA-N
MW296.40 g/mol
LogP4.09
Rot. Bonds3

About N-(1,3-benzothiazol-6-yl)-2-(2,4-dimethylphenyl)acetamide

N-(1,3-benzothiazol-6-yl)-2-(2,4-dimethylphenyl)acetamide (PubChem CID 41085216) has the molecular formula C17H16N2OS and a molecular weight of 296.40 g/mol. Its IUPAC name is N-(1,3-benzothiazol-6-yl)-2-(2,4-dimethylphenyl)acetamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-6-yl)-2-(2,4-dimethylphenyl)acetamide
PubChem CID41085216
Molecular FormulaC17H16N2OS
Molecular Weight296.40 g/mol
Exact Mass296.10
IUPAC NameN-(1,3-benzothiazol-6-yl)-2-(2,4-dimethylphenyl)acetamide
SMILESCc1ccc(CC(=O)Nc2ccc3ncsc3c2)c(C)c1
InChIInChI=1S/C17H16N2OS/c1-11-3-4-13(12(2)7-11)8-17(20)19-14-5-6-15-16(9-14)21-10-18-15/h3-7,9-10H,8H2,1-2H3,(H,19,20)
InChIKeyCEXSKVNIRQCXMX-UHFFFAOYSA-N
XLogP4.09
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dimethylphenyl)-N-(4-methylphenyl)acetamide
CID 7596977
N-(1,3-benzothiazol-6-yl)-4-methylbenzamide
CID 2337792
N-(1,3-benzothiazol-6-yl)-2-(butan-2-ylamino)acetamide
CID 114003189
N-(1,3-benzothiazol-6-yl)-4-hydroxybutanamide
CID 107801616
N-(1,3-benzothiazol-6-yl)-2-(3-propoxyphenyl)acetamide
CID 68556665
N-(1,3-benzothiazol-6-yl)-2-(3-ethenylphenyl)acetamide
CID 91356894
N-(1,3-benzothiazol-6-yl)-2-(2-fluoro-3-propoxyphenyl)acetamide
CID 68558882
N-(3,4-dimethoxyphenyl)-2-(2,4-dimethylphenyl)acetamide
CID 100756178
2-amino-N-(1,3-benzothiazol-6-yl)-2-ethylbutanamide
CID 107805169
methyl 2-(1,3-benzothiazol-6-ylamino)-2-oxoacetate
CID 107800350
2-amino-N-(1,3-benzothiazol-6-yl)-2-methylpropanamide
CID 83634070
N-[(4-methylphenyl)methyl]-1,3-benzothiazol-6-amine
CID 103818874

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-6-yl)-2-(2,4-dimethylphenyl)acetamide?
The IUPAC name of N-(1,3-benzothiazol-6-yl)-2-(2,4-dimethylphenyl)acetamide (CID 41085216) is N-(1,3-benzothiazol-6-yl)-2-(2,4-dimethylphenyl)acetamide.
What is the SMILES notation for N-(1,3-benzothiazol-6-yl)-2-(2,4-dimethylphenyl)acetamide?
The canonical SMILES for N-(1,3-benzothiazol-6-yl)-2-(2,4-dimethylphenyl)acetamide is Cc1ccc(CC(=O)Nc2ccc3ncsc3c2)c(C)c1.
What is the InChIKey of N-(1,3-benzothiazol-6-yl)-2-(2,4-dimethylphenyl)acetamide?
The InChIKey is CEXSKVNIRQCXMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2OS/c1-11-3-4-13(12(2)7-11)8-17(20)19-14-5-6-15-16(9-14)21-10-18-15/h3-7,9-10H,8H2,1-2H3,(H,19,20).
What are the key properties of N-(1,3-benzothiazol-6-yl)-2-(2,4-dimethylphenyl)acetamide?
N-(1,3-benzothiazol-6-yl)-2-(2,4-dimethylphenyl)acetamide has a molecular weight of 296.40 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-6-yl)-2-(2,4-dimethylphenyl)acetamide is sourced from PubChem (CID 41085216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).