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

C18H18N2OS2 — CID 7615157

IUPAC2-(2,4-dimethylphenyl)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)acetamide
SMILESCSc1ccc2nc(NC(=O)Cc3ccc(C)cc3C)sc2c1
InChIInChI=1S/C18H18N2OS2/c1-11-4-5-13(12(2)8-11)9-17(21)20-18-19-15-7-6-14(22-3)10-16(15)23-18/h4-8,10H,9H2,1-3H3,(H,19,20,21)
InChIKeyFEMHGVGNKLBMID-UHFFFAOYSA-N
MW342.49 g/mol
LogP4.82
Rot. Bonds4

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

2-(2,4-dimethylphenyl)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)acetamide (PubChem CID 7615157) has the molecular formula C18H18N2OS2 and a molecular weight of 342.49 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)acetamide
PubChem CID7615157
Molecular FormulaC18H18N2OS2
Molecular Weight342.49 g/mol
Exact Mass342.09
IUPAC Name2-(2,4-dimethylphenyl)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)acetamide
SMILESCSc1ccc2nc(NC(=O)Cc3ccc(C)cc3C)sc2c1
InChIInChI=1S/C18H18N2OS2/c1-11-4-5-13(12(2)8-11)9-17(21)20-18-19-15-7-6-14(22-3)10-16(15)23-18/h4-8,10H,9H2,1-3H3,(H,19,20,21)
InChIKeyFEMHGVGNKLBMID-UHFFFAOYSA-N
XLogP4.82
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)propanamide
CID 7615110
N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide
CID 41340187
N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-2-(2,4-dimethylphenyl)acetamide
CID 7597039
2-(4-methoxyphenyl)sulfanyl-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)acetamide
CID 41320931
2-(4-methylsulfanylphenyl)-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)acetamide
CID 8700884
2-(benzenesulfonyl)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)acetamide
CID 7615136
N-(4,5-dichloro-1,3-benzothiazol-2-yl)-2-(2,4-dimethylphenyl)acetamide
CID 8670569
N-[2-(diethylamino)ethyl]-2-(2,4-dimethylphenyl)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)acetamide;hydrochloride
CID 44947440
2-(2,4-dimethylphenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
CID 836392
2-methoxy-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
CID 836502
1-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-3-(naphthalen-1-ylmethyl)urea
CID 121081195
5-methyl-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-1,2-oxazole-3-carboxamide
CID 16953807

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of 2-(2,4-dimethylphenyl)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)acetamide (CID 7615157) is 2-(2,4-dimethylphenyl)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for 2-(2,4-dimethylphenyl)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for 2-(2,4-dimethylphenyl)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)acetamide is CSc1ccc2nc(NC(=O)Cc3ccc(C)cc3C)sc2c1.
What is the InChIKey of 2-(2,4-dimethylphenyl)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is FEMHGVGNKLBMID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2OS2/c1-11-4-5-13(12(2)8-11)9-17(21)20-18-19-15-7-6-14(22-3)10-16(15)23-18/h4-8,10H,9H2,1-3H3,(H,19,20,21).
What are the key properties of 2-(2,4-dimethylphenyl)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)acetamide?
2-(2,4-dimethylphenyl)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 342.49 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 7615157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).