2-(4-fluorophenyl)-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)acetamide

C16H13FN2O2S — CID 46352512

IUPAC2-(4-fluorophenyl)-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)acetamide
SMILESCn1c(=O)sc2cc(NC(=O)Cc3ccc(F)cc3)ccc21
InChIInChI=1S/C16H13FN2O2S/c1-19-13-7-6-12(9-14(13)22-16(19)21)18-15(20)8-10-2-4-11(17)5-3-10/h2-7,9H,8H2,1H3,(H,18,20)
InChIKeyDWFOYTQELBTRBG-UHFFFAOYSA-N
MW316.36 g/mol
LogP2.92
Rot. Bonds3

About 2-(4-fluorophenyl)-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)acetamide

2-(4-fluorophenyl)-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)acetamide (PubChem CID 46352512) has the molecular formula C16H13FN2O2S and a molecular weight of 316.36 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)acetamide
PubChem CID46352512
Molecular FormulaC16H13FN2O2S
Molecular Weight316.36 g/mol
Exact Mass316.07
IUPAC Name2-(4-fluorophenyl)-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)acetamide
SMILESCn1c(=O)sc2cc(NC(=O)Cc3ccc(F)cc3)ccc21
InChIInChI=1S/C16H13FN2O2S/c1-19-13-7-6-12(9-14(13)22-16(19)21)18-15(20)8-10-2-4-11(17)5-3-10/h2-7,9H,8H2,1H3,(H,18,20)
InChIKeyDWFOYTQELBTRBG-UHFFFAOYSA-N
XLogP2.92
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)acetamide (CID 46352512) is 2-(4-fluorophenyl)-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)acetamide is Cn1c(=O)sc2cc(NC(=O)Cc3ccc(F)cc3)ccc21.
What is the InChIKey of 2-(4-fluorophenyl)-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)acetamide?
The InChIKey is DWFOYTQELBTRBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O2S/c1-19-13-7-6-12(9-14(13)22-16(19)21)18-15(20)8-10-2-4-11(17)5-3-10/h2-7,9H,8H2,1H3,(H,18,20).
What are the key properties of 2-(4-fluorophenyl)-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)acetamide?
2-(4-fluorophenyl)-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)acetamide has a molecular weight of 316.36 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)acetamide is sourced from PubChem (CID 46352512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).