2-(3-fluorophenyl)-N-(4-methoxy-1,3-benzothiazol-2-yl)acetamide

C16H13FN2O2S — CID 51185209

IUPAC2-(3-fluorophenyl)-N-(4-methoxy-1,3-benzothiazol-2-yl)acetamide
SMILESCOc1cccc2sc(NC(=O)Cc3cccc(F)c3)nc12
InChIInChI=1S/C16H13FN2O2S/c1-21-12-6-3-7-13-15(12)19-16(22-13)18-14(20)9-10-4-2-5-11(17)8-10/h2-8H,9H2,1H3,(H,18,19,20)
InChIKeyWPGAALKWTNQHDJ-UHFFFAOYSA-N
MW316.36 g/mol
LogP3.63
Rot. Bonds4

About 2-(3-fluorophenyl)-N-(4-methoxy-1,3-benzothiazol-2-yl)acetamide

2-(3-fluorophenyl)-N-(4-methoxy-1,3-benzothiazol-2-yl)acetamide (PubChem CID 51185209) has the molecular formula C16H13FN2O2S and a molecular weight of 316.36 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-N-(4-methoxy-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(3-fluorophenyl)-N-(4-methoxy-1,3-benzothiazol-2-yl)acetamide
PubChem CID51185209
Molecular FormulaC16H13FN2O2S
Molecular Weight316.36 g/mol
Exact Mass316.07
IUPAC Name2-(3-fluorophenyl)-N-(4-methoxy-1,3-benzothiazol-2-yl)acetamide
SMILESCOc1cccc2sc(NC(=O)Cc3cccc(F)c3)nc12
InChIInChI=1S/C16H13FN2O2S/c1-21-12-6-3-7-13-15(12)19-16(22-13)18-14(20)9-10-4-2-5-11(17)8-10/h2-8H,9H2,1H3,(H,18,19,20)
InChIKeyWPGAALKWTNQHDJ-UHFFFAOYSA-N
XLogP3.63
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-acetamidophenyl)-N-(4-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 17415551
2-(4-methoxy-3-methylphenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide
CID 16848036
N-(4-methoxy-1,3-benzothiazol-2-yl)-2-(4-nitrophenyl)acetamide
CID 43952137
N-(4-methoxy-1,3-benzothiazol-2-yl)-3-(3-methoxyphenyl)propanamide
CID 24564610
N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-(3-methoxyphenyl)acetamide
CID 16911522
(4-methoxy-1,3-benzothiazol-2-yl)urea
CID 22283036
3-fluoro-N'-(4-methoxy-1,3-benzothiazol-2-yl)benzohydrazide
CID 7105535
2-(4-fluorophenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide
CID 2640845
N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-2-phenylacetamide
CID 4557888
N-(5-fluoro-2-methoxyphenyl)-2-(3-fluorophenyl)acetamide
CID 110776591
2-(2,6-dimethylphenoxy)-N-(4-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 19217838
2-(4-methoxyphenyl)-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)acetamide
CID 8719256

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-N-(4-methoxy-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of 2-(3-fluorophenyl)-N-(4-methoxy-1,3-benzothiazol-2-yl)acetamide (CID 51185209) is 2-(3-fluorophenyl)-N-(4-methoxy-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for 2-(3-fluorophenyl)-N-(4-methoxy-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for 2-(3-fluorophenyl)-N-(4-methoxy-1,3-benzothiazol-2-yl)acetamide is COc1cccc2sc(NC(=O)Cc3cccc(F)c3)nc12.
What is the InChIKey of 2-(3-fluorophenyl)-N-(4-methoxy-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is WPGAALKWTNQHDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O2S/c1-21-12-6-3-7-13-15(12)19-16(22-13)18-14(20)9-10-4-2-5-11(17)8-10/h2-8H,9H2,1H3,(H,18,19,20).
What are the key properties of 2-(3-fluorophenyl)-N-(4-methoxy-1,3-benzothiazol-2-yl)acetamide?
2-(3-fluorophenyl)-N-(4-methoxy-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 316.36 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-N-(4-methoxy-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 51185209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).