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

C16H13FN2O2S — CID 7193216

IUPACN-(4-fluoro-1,3-benzothiazol-2-yl)-3-phenoxypropanamide
SMILESO=C(CCOc1ccccc1)Nc1nc2c(F)cccc2s1
InChIInChI=1S/C16H13FN2O2S/c17-12-7-4-8-13-15(12)19-16(22-13)18-14(20)9-10-21-11-5-2-1-3-6-11/h1-8H,9-10H2,(H,18,19,20)
InChIKeyTVBKOURYONQJAV-UHFFFAOYSA-N
MW316.36 g/mol
LogP3.84
Rot. Bonds5

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

N-(4-fluoro-1,3-benzothiazol-2-yl)-3-phenoxypropanamide (PubChem CID 7193216) has the molecular formula C16H13FN2O2S and a molecular weight of 316.36 g/mol. Its IUPAC name is N-(4-fluoro-1,3-benzothiazol-2-yl)-3-phenoxypropanamide.

Molecular Properties

Compound NameN-(4-fluoro-1,3-benzothiazol-2-yl)-3-phenoxypropanamide
PubChem CID7193216
Molecular FormulaC16H13FN2O2S
Molecular Weight316.36 g/mol
Exact Mass316.07
IUPAC NameN-(4-fluoro-1,3-benzothiazol-2-yl)-3-phenoxypropanamide
SMILESO=C(CCOc1ccccc1)Nc1nc2c(F)cccc2s1
InChIInChI=1S/C16H13FN2O2S/c17-12-7-4-8-13-15(12)19-16(22-13)18-14(20)9-10-21-11-5-2-1-3-6-11/h1-8H,9-10H2,(H,18,19,20)
InChIKeyTVBKOURYONQJAV-UHFFFAOYSA-N
XLogP3.84
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-phenoxy-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)propanamide
CID 16938430
N-(4,5-dichloro-1,3-benzothiazol-2-yl)-3-phenoxypropanamide
CID 7192820
N-(4-fluoro-1,3-benzothiazol-2-yl)butanamide
CID 7193256
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3-phenoxypropanamide
CID 2150728
N-(4-fluoro-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)propanamide
CID 53269327
N-(4-fluoro-1,3-benzothiazol-2-yl)-2-methoxyacetamide
CID 53269300
N-(4-fluoro-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfanylpropanamide
CID 7254619
N-(4-bromo-1,3-benzothiazol-2-yl)-2-phenoxyacetamide
CID 7203050
N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-2-phenoxyacetamide
CID 7615226
4-(4-chlorophenoxy)-N-(4-methyl-1,3-benzothiazol-2-yl)butanamide
CID 19218842
2-(3,4-dimethylphenoxy)-N-(4-fluoro-1,3-benzothiazol-2-yl)acetamide
CID 53269358
N-[2-(dimethylamino)ethyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-3-phenoxypropanamide
CID 7208199

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-1,3-benzothiazol-2-yl)-3-phenoxypropanamide?
The IUPAC name of N-(4-fluoro-1,3-benzothiazol-2-yl)-3-phenoxypropanamide (CID 7193216) is N-(4-fluoro-1,3-benzothiazol-2-yl)-3-phenoxypropanamide.
What is the SMILES notation for N-(4-fluoro-1,3-benzothiazol-2-yl)-3-phenoxypropanamide?
The canonical SMILES for N-(4-fluoro-1,3-benzothiazol-2-yl)-3-phenoxypropanamide is O=C(CCOc1ccccc1)Nc1nc2c(F)cccc2s1.
What is the InChIKey of N-(4-fluoro-1,3-benzothiazol-2-yl)-3-phenoxypropanamide?
The InChIKey is TVBKOURYONQJAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O2S/c17-12-7-4-8-13-15(12)19-16(22-13)18-14(20)9-10-21-11-5-2-1-3-6-11/h1-8H,9-10H2,(H,18,19,20).
What are the key properties of N-(4-fluoro-1,3-benzothiazol-2-yl)-3-phenoxypropanamide?
N-(4-fluoro-1,3-benzothiazol-2-yl)-3-phenoxypropanamide has a molecular weight of 316.36 g/mol, XLogP of 3.84, 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-phenoxypropanamide is sourced from PubChem (CID 7193216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).