2-(2-fluorophenoxy)-N-[5-methyl-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrazol-3-yl]acetamide

C19H15FN4O2S2 — CID 27477363

IUPAC2-(2-fluorophenoxy)-N-[5-methyl-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrazol-3-yl]acetamide
SMILESCc1cc(NC(=O)COc2ccccc2F)n(-c2nc(-c3cccs3)cs2)n1
InChIInChI=1S/C19H15FN4O2S2/c1-12-9-17(22-18(25)10-26-15-6-3-2-5-13(15)20)24(23-12)19-21-14(11-28-19)16-7-4-8-27-16/h2-9,11H,10H2,1H3,(H,22,25)
InChIKeyPNQWTOHXFMHHKH-UHFFFAOYSA-N
MW414.49 g/mol
LogP4.52
Rot. Bonds6

About 2-(2-fluorophenoxy)-N-[5-methyl-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrazol-3-yl]acetamide

2-(2-fluorophenoxy)-N-[5-methyl-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrazol-3-yl]acetamide (PubChem CID 27477363) has the molecular formula C19H15FN4O2S2 and a molecular weight of 414.49 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)-N-[5-methyl-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-(2-fluorophenoxy)-N-[5-methyl-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrazol-3-yl]acetamide
PubChem CID27477363
Molecular FormulaC19H15FN4O2S2
Molecular Weight414.49 g/mol
Exact Mass414.06
IUPAC Name2-(2-fluorophenoxy)-N-[5-methyl-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrazol-3-yl]acetamide
SMILESCc1cc(NC(=O)COc2ccccc2F)n(-c2nc(-c3cccs3)cs2)n1
InChIInChI=1S/C19H15FN4O2S2/c1-12-9-17(22-18(25)10-26-15-6-3-2-5-13(15)20)24(23-12)19-21-14(11-28-19)16-7-4-8-27-16/h2-9,11H,10H2,1H3,(H,22,25)
InChIKeyPNQWTOHXFMHHKH-UHFFFAOYSA-N
XLogP4.52
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.49
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)-N-[5-methyl-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrazol-3-yl]acetamide?
The IUPAC name of 2-(2-fluorophenoxy)-N-[5-methyl-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrazol-3-yl]acetamide (CID 27477363) is 2-(2-fluorophenoxy)-N-[5-methyl-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrazol-3-yl]acetamide.
What is the SMILES notation for 2-(2-fluorophenoxy)-N-[5-methyl-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrazol-3-yl]acetamide?
The canonical SMILES for 2-(2-fluorophenoxy)-N-[5-methyl-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrazol-3-yl]acetamide is Cc1cc(NC(=O)COc2ccccc2F)n(-c2nc(-c3cccs3)cs2)n1.
What is the InChIKey of 2-(2-fluorophenoxy)-N-[5-methyl-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrazol-3-yl]acetamide?
The InChIKey is PNQWTOHXFMHHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4O2S2/c1-12-9-17(22-18(25)10-26-15-6-3-2-5-13(15)20)24(23-12)19-21-14(11-28-19)16-7-4-8-27-16/h2-9,11H,10H2,1H3,(H,22,25).
What are the key properties of 2-(2-fluorophenoxy)-N-[5-methyl-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrazol-3-yl]acetamide?
2-(2-fluorophenoxy)-N-[5-methyl-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrazol-3-yl]acetamide has a molecular weight of 414.49 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)-N-[5-methyl-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrazol-3-yl]acetamide is sourced from PubChem (CID 27477363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).