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

C16H13FN2OS — CID 2085164

IUPAC2-(3-fluorophenyl)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
SMILESCc1nc2ccc(NC(=O)Cc3cccc(F)c3)cc2s1
InChIInChI=1S/C16H13FN2OS/c1-10-18-14-6-5-13(9-15(14)21-10)19-16(20)8-11-3-2-4-12(17)7-11/h2-7,9H,8H2,1H3,(H,19,20)
InChIKeyXJZYODFQJNDYKU-UHFFFAOYSA-N
MW300.36 g/mol
LogP3.93
Rot. Bonds3

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

2-(3-fluorophenyl)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide (PubChem CID 2085164) has the molecular formula C16H13FN2OS and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide.

Molecular Properties

Compound Name2-(3-fluorophenyl)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
PubChem CID2085164
Molecular FormulaC16H13FN2OS
Molecular Weight300.36 g/mol
Exact Mass300.07
IUPAC Name2-(3-fluorophenyl)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
SMILESCc1nc2ccc(NC(=O)Cc3cccc(F)c3)cc2s1
InChIInChI=1S/C16H13FN2OS/c1-10-18-14-6-5-13(9-15(14)21-10)19-16(20)8-11-3-2-4-12(17)7-11/h2-7,9H,8H2,1H3,(H,19,20)
InChIKeyXJZYODFQJNDYKU-UHFFFAOYSA-N
XLogP3.93
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide?
The IUPAC name of 2-(3-fluorophenyl)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide (CID 2085164) is 2-(3-fluorophenyl)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide.
What is the SMILES notation for 2-(3-fluorophenyl)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide?
The canonical SMILES for 2-(3-fluorophenyl)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide is Cc1nc2ccc(NC(=O)Cc3cccc(F)c3)cc2s1.
What is the InChIKey of 2-(3-fluorophenyl)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide?
The InChIKey is XJZYODFQJNDYKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2OS/c1-10-18-14-6-5-13(9-15(14)21-10)19-16(20)8-11-3-2-4-12(17)7-11/h2-7,9H,8H2,1H3,(H,19,20).
What are the key properties of 2-(3-fluorophenyl)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide?
2-(3-fluorophenyl)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide has a molecular weight of 300.36 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide is sourced from PubChem (CID 2085164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).