2-(2-fluorophenoxy)-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]butanamide

C16H15FN4O2S — CID 154876359

IUPAC2-(2-fluorophenoxy)-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]butanamide
SMILESCCC(Oc1ccccc1F)C(=O)Nc1cn[nH]c1-c1nccs1
InChIInChI=1S/C16H15FN4O2S/c1-2-12(23-13-6-4-3-5-10(13)17)15(22)20-11-9-19-21-14(11)16-18-7-8-24-16/h3-9,12H,2H2,1H3,(H,19,21)(H,20,22)
InChIKeyPEFXMMQOOFLHOO-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.47
Rot. Bonds6

About 2-(2-fluorophenoxy)-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]butanamide

2-(2-fluorophenoxy)-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]butanamide (PubChem CID 154876359) has the molecular formula C16H15FN4O2S and a molecular weight of 346.39 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]butanamide.

Molecular Properties

Compound Name2-(2-fluorophenoxy)-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]butanamide
PubChem CID154876359
Molecular FormulaC16H15FN4O2S
Molecular Weight346.39 g/mol
Exact Mass346.09
IUPAC Name2-(2-fluorophenoxy)-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]butanamide
SMILESCCC(Oc1ccccc1F)C(=O)Nc1cn[nH]c1-c1nccs1
InChIInChI=1S/C16H15FN4O2S/c1-2-12(23-13-6-4-3-5-10(13)17)15(22)20-11-9-19-21-14(11)16-18-7-8-24-16/h3-9,12H,2H2,1H3,(H,19,21)(H,20,22)
InChIKeyPEFXMMQOOFLHOO-UHFFFAOYSA-N
XLogP3.47
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]butanamide?
The IUPAC name of 2-(2-fluorophenoxy)-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]butanamide (CID 154876359) is 2-(2-fluorophenoxy)-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]butanamide.
What is the SMILES notation for 2-(2-fluorophenoxy)-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]butanamide?
The canonical SMILES for 2-(2-fluorophenoxy)-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]butanamide is CCC(Oc1ccccc1F)C(=O)Nc1cn[nH]c1-c1nccs1.
What is the InChIKey of 2-(2-fluorophenoxy)-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]butanamide?
The InChIKey is PEFXMMQOOFLHOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4O2S/c1-2-12(23-13-6-4-3-5-10(13)17)15(22)20-11-9-19-21-14(11)16-18-7-8-24-16/h3-9,12H,2H2,1H3,(H,19,21)(H,20,22).
What are the key properties of 2-(2-fluorophenoxy)-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]butanamide?
2-(2-fluorophenoxy)-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]butanamide has a molecular weight of 346.39 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]butanamide is sourced from PubChem (CID 154876359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).