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

C17H17N3O3S — CID 91680806

IUPACN-(2-amino-4-methoxy-1,3-benzothiazol-6-yl)-2-(4-methylphenoxy)acetamide
SMILESCOc1cc(NC(=O)COc2ccc(C)cc2)cc2sc(N)nc12
InChIInChI=1S/C17H17N3O3S/c1-10-3-5-12(6-4-10)23-9-15(21)19-11-7-13(22-2)16-14(8-11)24-17(18)20-16/h3-8H,9H2,1-2H3,(H2,18,20)(H,19,21)
InChIKeyOBNNLLYYSPXICP-UHFFFAOYSA-N
MW343.41 g/mol
LogP3.21
Rot. Bonds5

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

N-(2-amino-4-methoxy-1,3-benzothiazol-6-yl)-2-(4-methylphenoxy)acetamide (PubChem CID 91680806) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is N-(2-amino-4-methoxy-1,3-benzothiazol-6-yl)-2-(4-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-(2-amino-4-methoxy-1,3-benzothiazol-6-yl)-2-(4-methylphenoxy)acetamide
PubChem CID91680806
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC NameN-(2-amino-4-methoxy-1,3-benzothiazol-6-yl)-2-(4-methylphenoxy)acetamide
SMILESCOc1cc(NC(=O)COc2ccc(C)cc2)cc2sc(N)nc12
InChIInChI=1S/C17H17N3O3S/c1-10-3-5-12(6-4-10)23-9-15(21)19-11-7-13(22-2)16-14(8-11)24-17(18)20-16/h3-8H,9H2,1-2H3,(H2,18,20)(H,19,21)
InChIKeyOBNNLLYYSPXICP-UHFFFAOYSA-N
XLogP3.21
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-amino-4-methoxy-1,3-benzothiazol-6-yl)-2-(4-tert-butylphenoxy)acetamide
CID 91680807
N-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-2-(4-methylphenoxy)acetamide
CID 91680730
N-(2-amino-4-bromo-1,3-benzothiazol-6-yl)-2-(4-propan-2-ylphenoxy)acetamide
CID 91680781
N-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-2-(3-methylphenoxy)acetamide
CID 91680729
N-(2-amino-4-methoxy-1,3-benzothiazol-6-yl)-2-cyanoacetamide
CID 168522593
N-(2-amino-4-methoxy-1,3-benzothiazol-6-yl)-4-phenylbenzamide
CID 91680458
N-(2-amino-4-methoxy-1,3-benzothiazol-6-yl)thiophene-2-carboxamide
CID 91680626
N-(2-amino-4-methoxy-1,3-benzothiazol-6-yl)-3,4-dichlorobenzamide
CID 91680564
N-(3-amino-4-methylphenyl)-2-(4-methylphenoxy)acetamide
CID 28867302
2-(4-methylphenoxy)-N-(4-methylphenyl)acetamide
CID 681889
N-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-2-propan-2-yloxyacetamide
CID 131932481
N-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-3,4-dimethoxybenzamide
CID 91680609

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-methoxy-1,3-benzothiazol-6-yl)-2-(4-methylphenoxy)acetamide?
The IUPAC name of N-(2-amino-4-methoxy-1,3-benzothiazol-6-yl)-2-(4-methylphenoxy)acetamide (CID 91680806) is N-(2-amino-4-methoxy-1,3-benzothiazol-6-yl)-2-(4-methylphenoxy)acetamide.
What is the SMILES notation for N-(2-amino-4-methoxy-1,3-benzothiazol-6-yl)-2-(4-methylphenoxy)acetamide?
The canonical SMILES for N-(2-amino-4-methoxy-1,3-benzothiazol-6-yl)-2-(4-methylphenoxy)acetamide is COc1cc(NC(=O)COc2ccc(C)cc2)cc2sc(N)nc12.
What is the InChIKey of N-(2-amino-4-methoxy-1,3-benzothiazol-6-yl)-2-(4-methylphenoxy)acetamide?
The InChIKey is OBNNLLYYSPXICP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S/c1-10-3-5-12(6-4-10)23-9-15(21)19-11-7-13(22-2)16-14(8-11)24-17(18)20-16/h3-8H,9H2,1-2H3,(H2,18,20)(H,19,21).
What are the key properties of N-(2-amino-4-methoxy-1,3-benzothiazol-6-yl)-2-(4-methylphenoxy)acetamide?
N-(2-amino-4-methoxy-1,3-benzothiazol-6-yl)-2-(4-methylphenoxy)acetamide has a molecular weight of 343.41 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-methoxy-1,3-benzothiazol-6-yl)-2-(4-methylphenoxy)acetamide is sourced from PubChem (CID 91680806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).