2-ethoxy-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-methylpropanamide

C13H15FN2O2S — CID 134714245

IUPAC2-ethoxy-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-methylpropanamide
SMILESCCOC(C)(C)C(=O)Nc1nc2c(F)cccc2s1
InChIInChI=1S/C13H15FN2O2S/c1-4-18-13(2,3)11(17)16-12-15-10-8(14)6-5-7-9(10)19-12/h5-7H,4H2,1-3H3,(H,15,16,17)
InChIKeyQJYXPWDVZITJEB-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.19
Rot. Bonds4

About 2-ethoxy-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-methylpropanamide

2-ethoxy-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-methylpropanamide (PubChem CID 134714245) has the molecular formula C13H15FN2O2S and a molecular weight of 282.34 g/mol. Its IUPAC name is 2-ethoxy-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-methylpropanamide.

Molecular Properties

Compound Name2-ethoxy-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-methylpropanamide
PubChem CID134714245
Molecular FormulaC13H15FN2O2S
Molecular Weight282.34 g/mol
Exact Mass282.08
IUPAC Name2-ethoxy-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-methylpropanamide
SMILESCCOC(C)(C)C(=O)Nc1nc2c(F)cccc2s1
InChIInChI=1S/C13H15FN2O2S/c1-4-18-13(2,3)11(17)16-12-15-10-8(14)6-5-7-9(10)19-12/h5-7H,4H2,1-3H3,(H,15,16,17)
InChIKeyQJYXPWDVZITJEB-UHFFFAOYSA-N
XLogP3.19
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-ethoxy-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-methylpropanamide 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-(4-fluoro-1,3-benzothiazol-2-yl)-2-methoxyacetamide
CID 53269300
N-(4-fluoro-1,3-benzothiazol-2-yl)butanamide
CID 7193256
2-[(4-fluoro-1,3-benzothiazol-2-yl)amino]acetic acid
CID 82192868
2-ethylsulfonyl-N-(4-fluoro-1,3-benzothiazol-2-yl)propanamide
CID 134699243
N-(4-fluoro-1,3-benzothiazol-2-yl)-2-methoxypyridine-3-carboxamide
CID 134709205
N-(4-fluoro-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)propanamide
CID 53269327
1-(3,5-dimethylphenyl)-3-(4-fluoro-1,3-benzothiazol-2-yl)urea
CID 121080751
3-(4-ethoxy-3-methoxyphenyl)-N-(4-fluoro-1,3-benzothiazol-2-yl)propanamide
CID 53269263
N-(4-fluoro-1,3-benzothiazol-2-yl)-2,4-dimethoxybenzamide
CID 7193198
N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-fluorobenzamide
CID 867640
1-(4-ethyl-1,3-benzothiazol-2-yl)-3-(2-fluorophenyl)urea
CID 121082547
N-(4-fluoro-1,3-benzothiazol-2-yl)-3-phenoxypropanamide
CID 7193216

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-methylpropanamide?
The IUPAC name of 2-ethoxy-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-methylpropanamide (CID 134714245) is 2-ethoxy-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-methylpropanamide.
What is the SMILES notation for 2-ethoxy-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-methylpropanamide?
The canonical SMILES for 2-ethoxy-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-methylpropanamide is CCOC(C)(C)C(=O)Nc1nc2c(F)cccc2s1.
What is the InChIKey of 2-ethoxy-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-methylpropanamide?
The InChIKey is QJYXPWDVZITJEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O2S/c1-4-18-13(2,3)11(17)16-12-15-10-8(14)6-5-7-9(10)19-12/h5-7H,4H2,1-3H3,(H,15,16,17).
What are the key properties of 2-ethoxy-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-methylpropanamide?
2-ethoxy-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-methylpropanamide has a molecular weight of 282.34 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-methylpropanamide is sourced from PubChem (CID 134714245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).