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

C19H20N2O3S — CID 19218417

IUPACN-(4-methoxy-1,3-benzothiazol-2-yl)-2-(2,3,6-trimethylphenoxy)acetamide
SMILESCOc1cccc2sc(NC(=O)COc3c(C)ccc(C)c3C)nc12
InChIInChI=1S/C19H20N2O3S/c1-11-8-9-12(2)18(13(11)3)24-10-16(22)20-19-21-17-14(23-4)6-5-7-15(17)25-19/h5-9H,10H2,1-4H3,(H,20,21,22)
InChIKeyFVSIIWUKNVDUAF-UHFFFAOYSA-N
MW356.45 g/mol
LogP4.25
Rot. Bonds5

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

N-(4-methoxy-1,3-benzothiazol-2-yl)-2-(2,3,6-trimethylphenoxy)acetamide (PubChem CID 19218417) has the molecular formula C19H20N2O3S and a molecular weight of 356.45 g/mol. Its IUPAC name is N-(4-methoxy-1,3-benzothiazol-2-yl)-2-(2,3,6-trimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-(4-methoxy-1,3-benzothiazol-2-yl)-2-(2,3,6-trimethylphenoxy)acetamide
PubChem CID19218417
Molecular FormulaC19H20N2O3S
Molecular Weight356.45 g/mol
Exact Mass356.12
IUPAC NameN-(4-methoxy-1,3-benzothiazol-2-yl)-2-(2,3,6-trimethylphenoxy)acetamide
SMILESCOc1cccc2sc(NC(=O)COc3c(C)ccc(C)c3C)nc12
InChIInChI=1S/C19H20N2O3S/c1-11-8-9-12(2)18(13(11)3)24-10-16(22)20-19-21-17-14(23-4)6-5-7-15(17)25-19/h5-9H,10H2,1-4H3,(H,20,21,22)
InChIKeyFVSIIWUKNVDUAF-UHFFFAOYSA-N
XLogP4.25
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,6-dimethylphenoxy)-N-(4-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 19217838
2-(4-chloro-3-methylphenoxy)-N-(4-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 19217431
2-(4-acetyl-2-methoxyphenoxy)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide
CID 4799893
N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-2-(2,6-dimethylphenoxy)acetamide
CID 24600014
N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-(4-methoxyphenoxy)acetamide
CID 19214374
N-[3-[(4-methoxy-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]-2-methylbenzamide
CID 46616277
2-(4-bromo-2-tert-butylphenoxy)-N-(4-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 19218074
(4-methoxy-1,3-benzothiazol-2-yl)urea
CID 22283036
2-(4-acetamidophenyl)-N-(4-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 17415551
N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-phenoxyacetamide
CID 4126701
2-(3,4-dimethylphenoxy)-N-(4-fluoro-1,3-benzothiazol-2-yl)acetamide
CID 53269358
N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-(2-nitrophenoxy)acetamide
CID 19210100

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-1,3-benzothiazol-2-yl)-2-(2,3,6-trimethylphenoxy)acetamide?
The IUPAC name of N-(4-methoxy-1,3-benzothiazol-2-yl)-2-(2,3,6-trimethylphenoxy)acetamide (CID 19218417) is N-(4-methoxy-1,3-benzothiazol-2-yl)-2-(2,3,6-trimethylphenoxy)acetamide.
What is the SMILES notation for N-(4-methoxy-1,3-benzothiazol-2-yl)-2-(2,3,6-trimethylphenoxy)acetamide?
The canonical SMILES for N-(4-methoxy-1,3-benzothiazol-2-yl)-2-(2,3,6-trimethylphenoxy)acetamide is COc1cccc2sc(NC(=O)COc3c(C)ccc(C)c3C)nc12.
What is the InChIKey of N-(4-methoxy-1,3-benzothiazol-2-yl)-2-(2,3,6-trimethylphenoxy)acetamide?
The InChIKey is FVSIIWUKNVDUAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3S/c1-11-8-9-12(2)18(13(11)3)24-10-16(22)20-19-21-17-14(23-4)6-5-7-15(17)25-19/h5-9H,10H2,1-4H3,(H,20,21,22).
What are the key properties of N-(4-methoxy-1,3-benzothiazol-2-yl)-2-(2,3,6-trimethylphenoxy)acetamide?
N-(4-methoxy-1,3-benzothiazol-2-yl)-2-(2,3,6-trimethylphenoxy)acetamide has a molecular weight of 356.45 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-1,3-benzothiazol-2-yl)-2-(2,3,6-trimethylphenoxy)acetamide is sourced from PubChem (CID 19218417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).