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

C10H9FN2O2S — CID 53269300

IUPACN-(4-fluoro-1,3-benzothiazol-2-yl)-2-methoxyacetamide
SMILESCOCC(=O)Nc1nc2c(F)cccc2s1
InChIInChI=1S/C10H9FN2O2S/c1-15-5-8(14)12-10-13-9-6(11)3-2-4-7(9)16-10/h2-4H,5H2,1H3,(H,12,13,14)
InChIKeyBHZDWCXHXUWFCP-UHFFFAOYSA-N
MW240.26 g/mol
LogP2.02
Rot. Bonds3

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

N-(4-fluoro-1,3-benzothiazol-2-yl)-2-methoxyacetamide (PubChem CID 53269300) has the molecular formula C10H9FN2O2S and a molecular weight of 240.26 g/mol. Its IUPAC name is N-(4-fluoro-1,3-benzothiazol-2-yl)-2-methoxyacetamide.

Molecular Properties

Compound NameN-(4-fluoro-1,3-benzothiazol-2-yl)-2-methoxyacetamide
PubChem CID53269300
Molecular FormulaC10H9FN2O2S
Molecular Weight240.26 g/mol
Exact Mass240.04
IUPAC NameN-(4-fluoro-1,3-benzothiazol-2-yl)-2-methoxyacetamide
SMILESCOCC(=O)Nc1nc2c(F)cccc2s1
InChIInChI=1S/C10H9FN2O2S/c1-15-5-8(14)12-10-13-9-6(11)3-2-4-7(9)16-10/h2-4H,5H2,1H3,(H,12,13,14)
InChIKeyBHZDWCXHXUWFCP-UHFFFAOYSA-N
XLogP2.02
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluoro-1,3-benzothiazol-2-yl)butanamide
CID 7193256
2-(3,4-dimethylphenoxy)-N-(4-fluoro-1,3-benzothiazol-2-yl)acetamide
CID 53269358
N-(4-fluoro-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)propanamide
CID 53269327
2-ethoxy-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-methylpropanamide
CID 134714245
N-(4-fluoro-1,3-benzothiazol-2-yl)-3-phenoxypropanamide
CID 7193216
N-(4-fluoro-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfanylpropanamide
CID 7254619
N-(4-bromo-1,3-benzothiazol-2-yl)-2-[2-[(4-bromo-1,3-benzothiazol-2-yl)amino]-2-oxoethoxy]acetamide
CID 43989383
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
2-ethylsulfonyl-N-(4-fluoro-1,3-benzothiazol-2-yl)propanamide
CID 134699243
N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-(3-methoxyphenoxy)acetamide
CID 43989031
N-(4-fluoro-1,3-benzothiazol-2-yl)-2,4-dimethoxybenzamide
CID 7193198

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-1,3-benzothiazol-2-yl)-2-methoxyacetamide?
The IUPAC name of N-(4-fluoro-1,3-benzothiazol-2-yl)-2-methoxyacetamide (CID 53269300) is N-(4-fluoro-1,3-benzothiazol-2-yl)-2-methoxyacetamide.
What is the SMILES notation for N-(4-fluoro-1,3-benzothiazol-2-yl)-2-methoxyacetamide?
The canonical SMILES for N-(4-fluoro-1,3-benzothiazol-2-yl)-2-methoxyacetamide is COCC(=O)Nc1nc2c(F)cccc2s1.
What is the InChIKey of N-(4-fluoro-1,3-benzothiazol-2-yl)-2-methoxyacetamide?
The InChIKey is BHZDWCXHXUWFCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O2S/c1-15-5-8(14)12-10-13-9-6(11)3-2-4-7(9)16-10/h2-4H,5H2,1H3,(H,12,13,14).
What are the key properties of N-(4-fluoro-1,3-benzothiazol-2-yl)-2-methoxyacetamide?
N-(4-fluoro-1,3-benzothiazol-2-yl)-2-methoxyacetamide has a molecular weight of 240.26 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-1,3-benzothiazol-2-yl)-2-methoxyacetamide is sourced from PubChem (CID 53269300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).