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

C12H11FN2O2S — CID 110723399

IUPAC2-(3-fluorophenoxy)-N-methyl-N-(1,3-thiazol-2-yl)acetamide
SMILESCN(C(=O)COc1cccc(F)c1)c1nccs1
InChIInChI=1S/C12H11FN2O2S/c1-15(12-14-5-6-18-12)11(16)8-17-10-4-2-3-9(13)7-10/h2-7H,8H2,1H3
InChIKeyKDDSRINLEUIMGK-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.32
Rot. Bonds4

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

2-(3-fluorophenoxy)-N-methyl-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 110723399) has the molecular formula C12H11FN2O2S and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-(3-fluorophenoxy)-N-methyl-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(3-fluorophenoxy)-N-methyl-N-(1,3-thiazol-2-yl)acetamide
PubChem CID110723399
Molecular FormulaC12H11FN2O2S
Molecular Weight266.30 g/mol
Exact Mass266.05
IUPAC Name2-(3-fluorophenoxy)-N-methyl-N-(1,3-thiazol-2-yl)acetamide
SMILESCN(C(=O)COc1cccc(F)c1)c1nccs1
InChIInChI=1S/C12H11FN2O2S/c1-15(12-14-5-6-18-12)11(16)8-17-10-4-2-3-9(13)7-10/h2-7H,8H2,1H3
InChIKeyKDDSRINLEUIMGK-UHFFFAOYSA-N
XLogP2.32
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenoxy)-N-methyl-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(3-fluorophenoxy)-N-methyl-N-(1,3-thiazol-2-yl)acetamide (CID 110723399) is 2-(3-fluorophenoxy)-N-methyl-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(3-fluorophenoxy)-N-methyl-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(3-fluorophenoxy)-N-methyl-N-(1,3-thiazol-2-yl)acetamide is CN(C(=O)COc1cccc(F)c1)c1nccs1.
What is the InChIKey of 2-(3-fluorophenoxy)-N-methyl-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is KDDSRINLEUIMGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O2S/c1-15(12-14-5-6-18-12)11(16)8-17-10-4-2-3-9(13)7-10/h2-7H,8H2,1H3.
What are the key properties of 2-(3-fluorophenoxy)-N-methyl-N-(1,3-thiazol-2-yl)acetamide?
2-(3-fluorophenoxy)-N-methyl-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 266.30 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenoxy)-N-methyl-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 110723399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).