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

C13H15FN2O4S — CID 56801308

IUPACN-(6-fluoro-4-methoxy-1,3-benzothiazol-2-yl)-2-(2-methoxyethoxy)acetamide
SMILESCOCCOCC(=O)Nc1nc2c(OC)cc(F)cc2s1
InChIInChI=1S/C13H15FN2O4S/c1-18-3-4-20-7-11(17)15-13-16-12-9(19-2)5-8(14)6-10(12)21-13/h5-6H,3-4,7H2,1-2H3,(H,15,16,17)
InChIKeyVXHBECYMUJEJRG-UHFFFAOYSA-N
MW314.34 g/mol
LogP2.05
Rot. Bonds7

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

N-(6-fluoro-4-methoxy-1,3-benzothiazol-2-yl)-2-(2-methoxyethoxy)acetamide (PubChem CID 56801308) has the molecular formula C13H15FN2O4S and a molecular weight of 314.34 g/mol. Its IUPAC name is N-(6-fluoro-4-methoxy-1,3-benzothiazol-2-yl)-2-(2-methoxyethoxy)acetamide.

Molecular Properties

Compound NameN-(6-fluoro-4-methoxy-1,3-benzothiazol-2-yl)-2-(2-methoxyethoxy)acetamide
PubChem CID56801308
Molecular FormulaC13H15FN2O4S
Molecular Weight314.34 g/mol
Exact Mass314.07
IUPAC NameN-(6-fluoro-4-methoxy-1,3-benzothiazol-2-yl)-2-(2-methoxyethoxy)acetamide
SMILESCOCCOCC(=O)Nc1nc2c(OC)cc(F)cc2s1
InChIInChI=1S/C13H15FN2O4S/c1-18-3-4-20-7-11(17)15-13-16-12-9(19-2)5-8(14)6-10(12)21-13/h5-6H,3-4,7H2,1-2H3,(H,15,16,17)
InChIKeyVXHBECYMUJEJRG-UHFFFAOYSA-N
XLogP2.05
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(6-fluoro-4-methoxy-1,3-benzothiazol-2-yl)-2-(2-methoxyethoxy)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-fluoro-4-methoxy-1,3-benzothiazol-2-yl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 122157683
N-(6-amino-4-methoxy-1,3-benzothiazol-2-yl)-2-propan-2-yloxyacetamide
CID 115949180
N-(6-amino-4-methoxy-1,3-benzothiazol-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 115949179
N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-(3-methoxyphenoxy)acetamide
CID 43989031
N-(6-fluoro-4-methoxy-1,3-benzothiazol-2-yl)-2-imidazol-1-ylpropanamide
CID 56825796
2-(3-fluorophenyl)-N-(4-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 51185209
N-(4,6-difluoro-1,3-benzothiazol-2-yl)-3-ethoxy-4-methoxybenzamide
CID 9119417
N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-2-phenylacetamide
CID 4557888
N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2,5-dimethoxybenzamide
CID 16848813
N-(4-fluoro-1,3-benzothiazol-2-yl)-2-methoxyacetamide
CID 53269300
2-(4-chloro-2-methylphenoxy)-N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)acetamide
CID 3301684
N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-(3-methoxyphenyl)acetamide
CID 16911522

Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-4-methoxy-1,3-benzothiazol-2-yl)-2-(2-methoxyethoxy)acetamide?
The IUPAC name of N-(6-fluoro-4-methoxy-1,3-benzothiazol-2-yl)-2-(2-methoxyethoxy)acetamide (CID 56801308) is N-(6-fluoro-4-methoxy-1,3-benzothiazol-2-yl)-2-(2-methoxyethoxy)acetamide.
What is the SMILES notation for N-(6-fluoro-4-methoxy-1,3-benzothiazol-2-yl)-2-(2-methoxyethoxy)acetamide?
The canonical SMILES for N-(6-fluoro-4-methoxy-1,3-benzothiazol-2-yl)-2-(2-methoxyethoxy)acetamide is COCCOCC(=O)Nc1nc2c(OC)cc(F)cc2s1.
What is the InChIKey of N-(6-fluoro-4-methoxy-1,3-benzothiazol-2-yl)-2-(2-methoxyethoxy)acetamide?
The InChIKey is VXHBECYMUJEJRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O4S/c1-18-3-4-20-7-11(17)15-13-16-12-9(19-2)5-8(14)6-10(12)21-13/h5-6H,3-4,7H2,1-2H3,(H,15,16,17).
What are the key properties of N-(6-fluoro-4-methoxy-1,3-benzothiazol-2-yl)-2-(2-methoxyethoxy)acetamide?
N-(6-fluoro-4-methoxy-1,3-benzothiazol-2-yl)-2-(2-methoxyethoxy)acetamide has a molecular weight of 314.34 g/mol, XLogP of 2.05, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-4-methoxy-1,3-benzothiazol-2-yl)-2-(2-methoxyethoxy)acetamide is sourced from PubChem (CID 56801308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).