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

C18H18N2OS — CID 30848217

IUPACN-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(2-methylphenyl)acetamide
SMILESCc1cc(C)c2nc(NC(=O)Cc3ccccc3C)sc2c1
InChIInChI=1S/C18H18N2OS/c1-11-8-13(3)17-15(9-11)22-18(20-17)19-16(21)10-14-7-5-4-6-12(14)2/h4-9H,10H2,1-3H3,(H,19,20,21)
InChIKeyMDJXFDOZNBLCKE-UHFFFAOYSA-N
MW310.42 g/mol
LogP4.40
Rot. Bonds3

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

N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(2-methylphenyl)acetamide (PubChem CID 30848217) has the molecular formula C18H18N2OS and a molecular weight of 310.42 g/mol. Its IUPAC name is N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(2-methylphenyl)acetamide.

Molecular Properties

Compound NameN-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(2-methylphenyl)acetamide
PubChem CID30848217
Molecular FormulaC18H18N2OS
Molecular Weight310.42 g/mol
Exact Mass310.11
IUPAC NameN-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(2-methylphenyl)acetamide
SMILESCc1cc(C)c2nc(NC(=O)Cc3ccccc3C)sc2c1
InChIInChI=1S/C18H18N2OS/c1-11-8-13(3)17-15(9-11)22-18(20-17)19-16(21)10-14-7-5-4-6-12(14)2/h4-9H,10H2,1-3H3,(H,19,20,21)
InChIKeyMDJXFDOZNBLCKE-UHFFFAOYSA-N
XLogP4.40
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromophenyl)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)acetamide
CID 7926926
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)benzamide
CID 4307053
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(4-ethylsulfanylphenyl)acetamide
CID 8700897
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-phenylsulfanylpropanamide
CID 3470440
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(2-phenylethyl)benzamide
CID 19226196
methyl N-[2-[(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]carbamate
CID 47299822
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-methoxypropanamide
CID 35591150
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 16562643
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(4-methylphenyl)sulfanylacetamide
CID 7544939
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(4-phenylmethoxyphenoxy)acetamide
CID 7926935
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-fluorobenzamide
CID 813916
1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-(3,5-dimethylphenyl)urea
CID 121080315

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(2-methylphenyl)acetamide?
The IUPAC name of N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(2-methylphenyl)acetamide (CID 30848217) is N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(2-methylphenyl)acetamide.
What is the SMILES notation for N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(2-methylphenyl)acetamide?
The canonical SMILES for N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(2-methylphenyl)acetamide is Cc1cc(C)c2nc(NC(=O)Cc3ccccc3C)sc2c1.
What is the InChIKey of N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(2-methylphenyl)acetamide?
The InChIKey is MDJXFDOZNBLCKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2OS/c1-11-8-13(3)17-15(9-11)22-18(20-17)19-16(21)10-14-7-5-4-6-12(14)2/h4-9H,10H2,1-3H3,(H,19,20,21).
What are the key properties of N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(2-methylphenyl)acetamide?
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(2-methylphenyl)acetamide has a molecular weight of 310.42 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(2-methylphenyl)acetamide is sourced from PubChem (CID 30848217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).