2-(4-fluorophenoxy)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide

C16H12FN3O2S — CID 18127531

IUPAC2-(4-fluorophenoxy)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide
SMILESO=C(COc1ccc(F)cc1)Nc1nc(-c2cccnc2)cs1
InChIInChI=1S/C16H12FN3O2S/c17-12-3-5-13(6-4-12)22-9-15(21)20-16-19-14(10-23-16)11-2-1-7-18-8-11/h1-8,10H,9H2,(H,19,20,21)
InChIKeyOTNYDVPSTMTYKR-UHFFFAOYSA-N
MW329.36 g/mol
LogP3.36
Rot. Bonds5

About 2-(4-fluorophenoxy)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide

2-(4-fluorophenoxy)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide (PubChem CID 18127531) has the molecular formula C16H12FN3O2S and a molecular weight of 329.36 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide
PubChem CID18127531
Molecular FormulaC16H12FN3O2S
Molecular Weight329.36 g/mol
Exact Mass329.06
IUPAC Name2-(4-fluorophenoxy)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide
SMILESO=C(COc1ccc(F)cc1)Nc1nc(-c2cccnc2)cs1
InChIInChI=1S/C16H12FN3O2S/c17-12-3-5-13(6-4-12)22-9-15(21)20-16-19-14(10-23-16)11-2-1-7-18-8-11/h1-8,10H,9H2,(H,19,20,21)
InChIKeyOTNYDVPSTMTYKR-UHFFFAOYSA-N
XLogP3.36
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(4-fluorophenoxy)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide (CID 18127531) is 2-(4-fluorophenoxy)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4-fluorophenoxy)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(4-fluorophenoxy)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide is O=C(COc1ccc(F)cc1)Nc1nc(-c2cccnc2)cs1.
What is the InChIKey of 2-(4-fluorophenoxy)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide?
The InChIKey is OTNYDVPSTMTYKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3O2S/c17-12-3-5-13(6-4-12)22-9-15(21)20-16-19-14(10-23-16)11-2-1-7-18-8-11/h1-8,10H,9H2,(H,19,20,21).
What are the key properties of 2-(4-fluorophenoxy)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide?
2-(4-fluorophenoxy)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide has a molecular weight of 329.36 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 18127531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).