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

C16H13FN2O2S — CID 2102301

IUPAC2-(3-fluorophenoxy)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
SMILESCc1nc2ccc(NC(=O)COc3cccc(F)c3)cc2s1
InChIInChI=1S/C16H13FN2O2S/c1-10-18-14-6-5-12(8-15(14)22-10)19-16(20)9-21-13-4-2-3-11(17)7-13/h2-8H,9H2,1H3,(H,19,20)
InChIKeyUAPCJERSCHXJNX-UHFFFAOYSA-N
MW316.36 g/mol
LogP3.76
Rot. Bonds4

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

2-(3-fluorophenoxy)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide (PubChem CID 2102301) has the molecular formula C16H13FN2O2S and a molecular weight of 316.36 g/mol. Its IUPAC name is 2-(3-fluorophenoxy)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide.

Molecular Properties

Compound Name2-(3-fluorophenoxy)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
PubChem CID2102301
Molecular FormulaC16H13FN2O2S
Molecular Weight316.36 g/mol
Exact Mass316.07
IUPAC Name2-(3-fluorophenoxy)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
SMILESCc1nc2ccc(NC(=O)COc3cccc(F)c3)cc2s1
InChIInChI=1S/C16H13FN2O2S/c1-10-18-14-6-5-12(8-15(14)22-10)19-16(20)9-21-13-4-2-3-11(17)7-13/h2-8H,9H2,1H3,(H,19,20)
InChIKeyUAPCJERSCHXJNX-UHFFFAOYSA-N
XLogP3.76
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 ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenoxy)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide?
The IUPAC name of 2-(3-fluorophenoxy)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide (CID 2102301) is 2-(3-fluorophenoxy)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide.
What is the SMILES notation for 2-(3-fluorophenoxy)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide?
The canonical SMILES for 2-(3-fluorophenoxy)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide is Cc1nc2ccc(NC(=O)COc3cccc(F)c3)cc2s1.
What is the InChIKey of 2-(3-fluorophenoxy)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide?
The InChIKey is UAPCJERSCHXJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O2S/c1-10-18-14-6-5-12(8-15(14)22-10)19-16(20)9-21-13-4-2-3-11(17)7-13/h2-8H,9H2,1H3,(H,19,20).
What are the key properties of 2-(3-fluorophenoxy)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide?
2-(3-fluorophenoxy)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide has a molecular weight of 316.36 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenoxy)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide is sourced from PubChem (CID 2102301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).