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

C19H20N2O2S — CID 19210112

IUPACN-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-(4-ethylphenoxy)acetamide
SMILESCCc1ccc(OCC(=O)Nc2nc3c(C)c(C)ccc3s2)cc1
InChIInChI=1S/C19H20N2O2S/c1-4-14-6-8-15(9-7-14)23-11-17(22)20-19-21-18-13(3)12(2)5-10-16(18)24-19/h5-10H,4,11H2,1-3H3,(H,20,21,22)
InChIKeyXQJUHDQPMMEWCP-UHFFFAOYSA-N
MW340.45 g/mol
LogP4.49
Rot. Bonds5

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

N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-(4-ethylphenoxy)acetamide (PubChem CID 19210112) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-(4-ethylphenoxy)acetamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-(4-ethylphenoxy)acetamide
PubChem CID19210112
Molecular FormulaC19H20N2O2S
Molecular Weight340.45 g/mol
Exact Mass340.12
IUPAC NameN-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-(4-ethylphenoxy)acetamide
SMILESCCc1ccc(OCC(=O)Nc2nc3c(C)c(C)ccc3s2)cc1
InChIInChI=1S/C19H20N2O2S/c1-4-14-6-8-15(9-7-14)23-11-17(22)20-19-21-18-13(3)12(2)5-10-16(18)24-19/h5-10H,4,11H2,1-3H3,(H,20,21,22)
InChIKeyXQJUHDQPMMEWCP-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-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)acetamide
CID 8719026
N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(4-methylphenoxy)acetamide
CID 43988809
N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)acetamide
CID 7597284
2-(4-ethylphenoxy)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 2484391
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(4-propylphenoxy)acetamide
CID 19214311
N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-(2-nitrophenoxy)acetamide
CID 19210100
N-(6-butyl-1,3-benzothiazol-2-yl)-2-(4-ethylphenoxy)acetamide
CID 5162221
N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-(4-propylphenoxy)acetamide
CID 19214376
2-(3,4-dimethylphenoxy)-N-(4-fluoro-1,3-benzothiazol-2-yl)acetamide
CID 53269358
1-(4,5-dimethyl-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)urea
CID 35521821
2-(4-chloro-3-methylphenoxy)-N-(6-ethyl-1,3-benzothiazol-2-yl)acetamide
CID 108767849
N-(6-butan-2-yl-1,3-benzothiazol-2-yl)-2-(4-ethylphenoxy)acetamide
CID 53269191

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-(4-ethylphenoxy)acetamide?
The IUPAC name of N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-(4-ethylphenoxy)acetamide (CID 19210112) is N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-(4-ethylphenoxy)acetamide.
What is the SMILES notation for N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-(4-ethylphenoxy)acetamide?
The canonical SMILES for N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-(4-ethylphenoxy)acetamide is CCc1ccc(OCC(=O)Nc2nc3c(C)c(C)ccc3s2)cc1.
What is the InChIKey of N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-(4-ethylphenoxy)acetamide?
The InChIKey is XQJUHDQPMMEWCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2S/c1-4-14-6-8-15(9-7-14)23-11-17(22)20-19-21-18-13(3)12(2)5-10-16(18)24-19/h5-10H,4,11H2,1-3H3,(H,20,21,22).
What are the key properties of N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-(4-ethylphenoxy)acetamide?
N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-(4-ethylphenoxy)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-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-(4-ethylphenoxy)acetamide is sourced from PubChem (CID 19210112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).