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

C17H15FN2O2S — CID 53269327

IUPACN-(4-fluoro-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)Nc2nc3c(F)cccc3s2)cc1
InChIInChI=1S/C17H15FN2O2S/c1-22-12-8-5-11(6-9-12)7-10-15(21)19-17-20-16-13(18)3-2-4-14(16)23-17/h2-6,8-9H,7,10H2,1H3,(H,19,20,21)
InChIKeyIOQLHNSZUBUMDY-UHFFFAOYSA-N
MW330.38 g/mol
LogP4.02
Rot. Bonds5

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

N-(4-fluoro-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)propanamide (PubChem CID 53269327) has the molecular formula C17H15FN2O2S and a molecular weight of 330.38 g/mol. Its IUPAC name is N-(4-fluoro-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-(4-fluoro-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)propanamide
PubChem CID53269327
Molecular FormulaC17H15FN2O2S
Molecular Weight330.38 g/mol
Exact Mass330.08
IUPAC NameN-(4-fluoro-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)Nc2nc3c(F)cccc3s2)cc1
InChIInChI=1S/C17H15FN2O2S/c1-22-12-8-5-11(6-9-12)7-10-15(21)19-17-20-16-13(18)3-2-4-14(16)23-17/h2-6,8-9H,7,10H2,1H3,(H,19,20,21)
InChIKeyIOQLHNSZUBUMDY-UHFFFAOYSA-N
XLogP4.02
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-ethoxy-3-methoxyphenyl)-N-(4-fluoro-1,3-benzothiazol-2-yl)propanamide
CID 53269263
N-(4-fluoro-1,3-benzothiazol-2-yl)butanamide
CID 7193256
N-(4-fluoro-1,3-benzothiazol-2-yl)-2-methoxyacetamide
CID 53269300
N-(4-methoxy-1,3-benzothiazol-2-yl)-3-(3-methoxyphenyl)propanamide
CID 24564610
N-(4-fluoro-1,3-benzothiazol-2-yl)-3-phenoxypropanamide
CID 7193216
2-(4-methoxyphenyl)-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)acetamide
CID 8719256
N-(4-fluoro-1,3-benzothiazol-2-yl)-2,4-dimethoxybenzamide
CID 7193198
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-methylphenyl)sulfanylpropanamide
CID 7254619
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(4-methoxy-1,3-benzothiazol-2-yl)propanamide
CID 29496795
3-(4-ethoxyphenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
CID 19226041
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-(4-fluoro-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)propanamide?
The IUPAC name of N-(4-fluoro-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)propanamide (CID 53269327) is N-(4-fluoro-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)propanamide.
What is the SMILES notation for N-(4-fluoro-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)propanamide?
The canonical SMILES for N-(4-fluoro-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)propanamide is COc1ccc(CCC(=O)Nc2nc3c(F)cccc3s2)cc1.
What is the InChIKey of N-(4-fluoro-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)propanamide?
The InChIKey is IOQLHNSZUBUMDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O2S/c1-22-12-8-5-11(6-9-12)7-10-15(21)19-17-20-16-13(18)3-2-4-14(16)23-17/h2-6,8-9H,7,10H2,1H3,(H,19,20,21).
What are the key properties of N-(4-fluoro-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)propanamide?
N-(4-fluoro-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)propanamide has a molecular weight of 330.38 g/mol, XLogP of 4.02, 5 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)-3-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 53269327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).