N-(6-amino-4-methoxy-1,3-benzothiazol-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide

C14H19N3O3S — CID 115949179

IUPACN-(6-amino-4-methoxy-1,3-benzothiazol-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCOc1cc(N)cc2sc(NC(=O)COC(C)(C)C)nc12
InChIInChI=1S/C14H19N3O3S/c1-14(2,3)20-7-11(18)16-13-17-12-9(19-4)5-8(15)6-10(12)21-13/h5-6H,7,15H2,1-4H3,(H,16,17,18)
InChIKeyWFLTVFLBYMLHJS-UHFFFAOYSA-N
MW309.39 g/mol
LogP2.64
Rot. Bonds4

About N-(6-amino-4-methoxy-1,3-benzothiazol-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide

N-(6-amino-4-methoxy-1,3-benzothiazol-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide (PubChem CID 115949179) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is N-(6-amino-4-methoxy-1,3-benzothiazol-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide.

Molecular Properties

Compound NameN-(6-amino-4-methoxy-1,3-benzothiazol-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide
PubChem CID115949179
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC NameN-(6-amino-4-methoxy-1,3-benzothiazol-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCOc1cc(N)cc2sc(NC(=O)COC(C)(C)C)nc12
InChIInChI=1S/C14H19N3O3S/c1-14(2,3)20-7-11(18)16-13-17-12-9(19-4)5-8(15)6-10(12)21-13/h5-6H,7,15H2,1-4H3,(H,16,17,18)
InChIKeyWFLTVFLBYMLHJS-UHFFFAOYSA-N
XLogP2.64
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-(6-amino-4-methoxy-1,3-benzothiazol-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(6-amino-4-methoxy-1,3-benzothiazol-2-yl)-2-propan-2-yloxyacetamide
CID 115949180
1-(6-amino-4-methoxy-1,3-benzothiazol-2-yl)-3-ethylurea
CID 43551282
methyl 4-[(6-amino-4-methoxy-1,3-benzothiazol-2-yl)carbamoyl]benzoate
CID 1160312
N-(6-amino-4-methoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 43548233
N-(6-amino-4-methoxy-1,3-benzothiazol-2-yl)pyridazine-4-carboxamide
CID 104669149
N-(6-fluoro-4-methoxy-1,3-benzothiazol-2-yl)-2-(2-methoxyethoxy)acetamide
CID 56801308
N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-2-phenylacetamide
CID 4557888
2-N-(ethylsulfamoyl)-4-methoxy-1,3-benzothiazole-2,6-diamine
CID 114804545
2-(4-chloro-2-methylphenoxy)-N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)acetamide
CID 3301684
N-(6-amino-4-methoxy-1,3-benzothiazol-2-yl)propane-2-sulfonamide
CID 60860065
4-methoxy-2-N-(2-methylpropylsulfamoyl)-1,3-benzothiazole-2,6-diamine
CID 114814113
N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-2-(2-methylphenoxy)acetamide
CID 17177227

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-4-methoxy-1,3-benzothiazol-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
The IUPAC name of N-(6-amino-4-methoxy-1,3-benzothiazol-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide (CID 115949179) is N-(6-amino-4-methoxy-1,3-benzothiazol-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide.
What is the SMILES notation for N-(6-amino-4-methoxy-1,3-benzothiazol-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
The canonical SMILES for N-(6-amino-4-methoxy-1,3-benzothiazol-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide is COc1cc(N)cc2sc(NC(=O)COC(C)(C)C)nc12.
What is the InChIKey of N-(6-amino-4-methoxy-1,3-benzothiazol-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
The InChIKey is WFLTVFLBYMLHJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c1-14(2,3)20-7-11(18)16-13-17-12-9(19-4)5-8(15)6-10(12)21-13/h5-6H,7,15H2,1-4H3,(H,16,17,18).
What are the key properties of N-(6-amino-4-methoxy-1,3-benzothiazol-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
N-(6-amino-4-methoxy-1,3-benzothiazol-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide has a molecular weight of 309.39 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-4-methoxy-1,3-benzothiazol-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide is sourced from PubChem (CID 115949179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).