N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-(4-ethoxyphenyl)acetamide

C19H20N2O2S — CID 8719990

IUPACN-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(CC(=O)Nc2nc3cc(C)cc(C)c3s2)cc1
InChIInChI=1S/C19H20N2O2S/c1-4-23-15-7-5-14(6-8-15)11-17(22)21-19-20-16-10-12(2)9-13(3)18(16)24-19/h5-10H,4,11H2,1-3H3,(H,20,21,22)
InChIKeyNRGFRIPSXWCGSU-UHFFFAOYSA-N
MW340.45 g/mol
LogP4.49
Rot. Bonds5

About N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-(4-ethoxyphenyl)acetamide

N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-(4-ethoxyphenyl)acetamide (PubChem CID 8719990) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-(4-ethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-(4-ethoxyphenyl)acetamide
PubChem CID8719990
Molecular FormulaC19H20N2O2S
Molecular Weight340.45 g/mol
Exact Mass340.12
IUPAC NameN-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(CC(=O)Nc2nc3cc(C)cc(C)c3s2)cc1
InChIInChI=1S/C19H20N2O2S/c1-4-23-15-7-5-14(6-8-15)11-17(22)21-19-20-16-10-12(2)9-13(3)18(16)24-19/h5-10H,4,11H2,1-3H3,(H,20,21,22)
InChIKeyNRGFRIPSXWCGSU-UHFFFAOYSA-N
XLogP4.49
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-(4-methylphenoxy)acetamide
CID 43988945
2-(4-ethoxyphenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 8719441
2-(4-ethoxyphenyl)-N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)acetamide
CID 8719724
2-(4-ethoxyphenyl)-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)acetamide
CID 8719702
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(2,4,6-trimethylphenoxy)acetamide
CID 7926150
N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)sulfanylacetamide
CID 41320662
2-(3,5-dimethylphenoxy)-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
CID 18854078
1-(5,7-dimethyl-1,3-benzothiazol-2-yl)-3-ethylurea
CID 121082538
3-(4-ethoxyphenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
CID 19226041
2-(1,3-benzodioxol-5-yl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
CID 41107512
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 55600412
N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(4-propan-2-ylphenyl)acetamide
CID 41362497

Frequently Asked Questions

What is the IUPAC name of N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-(4-ethoxyphenyl)acetamide?
The IUPAC name of N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-(4-ethoxyphenyl)acetamide (CID 8719990) is N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-(4-ethoxyphenyl)acetamide.
What is the SMILES notation for N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-(4-ethoxyphenyl)acetamide?
The canonical SMILES for N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-(4-ethoxyphenyl)acetamide is CCOc1ccc(CC(=O)Nc2nc3cc(C)cc(C)c3s2)cc1.
What is the InChIKey of N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-(4-ethoxyphenyl)acetamide?
The InChIKey is NRGFRIPSXWCGSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2S/c1-4-23-15-7-5-14(6-8-15)11-17(22)21-19-20-16-10-12(2)9-13(3)18(16)24-19/h5-10H,4,11H2,1-3H3,(H,20,21,22).
What are the key properties of N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-(4-ethoxyphenyl)acetamide?
N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-(4-ethoxyphenyl)acetamide has a molecular weight of 340.45 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-(4-ethoxyphenyl)acetamide is sourced from PubChem (CID 8719990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).