2,2,2-trifluoro-N-[[3-(2-phenyl-4-piperidin-1-yl-1,3-thiazol-5-yl)-1H-pyrazol-5-yl]methyl]acetamide

C20H20F3N5OS — CID 10224931

IUPAC2,2,2-trifluoro-N-[[3-(2-phenyl-4-piperidin-1-yl-1,3-thiazol-5-yl)-1H-pyrazol-5-yl]methyl]acetamide
SMILESO=C(NCc1cc(-c2sc(-c3ccccc3)nc2N2CCCCC2)n[nH]1)C(F)(F)F
InChIInChI=1S/C20H20F3N5OS/c21-20(22,23)19(29)24-12-14-11-15(27-26-14)16-17(28-9-5-2-6-10-28)25-18(30-16)13-7-3-1-4-8-13/h1,3-4,7-8,11H,2,5-6,9-10,12H2,(H,24,29)(H,26,27)
InChIKeyFCWBWYSUYGUCFN-UHFFFAOYSA-N
MW435.48 g/mol
LogP4.37
Rot. Bonds5

About 2,2,2-trifluoro-N-[[3-(2-phenyl-4-piperidin-1-yl-1,3-thiazol-5-yl)-1H-pyrazol-5-yl]methyl]acetamide

2,2,2-trifluoro-N-[[3-(2-phenyl-4-piperidin-1-yl-1,3-thiazol-5-yl)-1H-pyrazol-5-yl]methyl]acetamide (PubChem CID 10224931) has the molecular formula C20H20F3N5OS and a molecular weight of 435.48 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[[3-(2-phenyl-4-piperidin-1-yl-1,3-thiazol-5-yl)-1H-pyrazol-5-yl]methyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[[3-(2-phenyl-4-piperidin-1-yl-1,3-thiazol-5-yl)-1H-pyrazol-5-yl]methyl]acetamide
PubChem CID10224931
Molecular FormulaC20H20F3N5OS
Molecular Weight435.48 g/mol
Exact Mass435.13
IUPAC Name2,2,2-trifluoro-N-[[3-(2-phenyl-4-piperidin-1-yl-1,3-thiazol-5-yl)-1H-pyrazol-5-yl]methyl]acetamide
SMILESO=C(NCc1cc(-c2sc(-c3ccccc3)nc2N2CCCCC2)n[nH]1)C(F)(F)F
InChIInChI=1S/C20H20F3N5OS/c21-20(22,23)19(29)24-12-14-11-15(27-26-14)16-17(28-9-5-2-6-10-28)25-18(30-16)13-7-3-1-4-8-13/h1,3-4,7-8,11H,2,5-6,9-10,12H2,(H,24,29)(H,26,27)
InChIKeyFCWBWYSUYGUCFN-UHFFFAOYSA-N
XLogP4.37
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[[3-(2-phenyl-4-piperidin-1-yl-1,3-thiazol-5-yl)-1H-pyrazol-5-yl]methyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[[3-(2-phenyl-4-piperidin-1-yl-1,3-thiazol-5-yl)-1H-pyrazol-5-yl]methyl]acetamide (CID 10224931) is 2,2,2-trifluoro-N-[[3-(2-phenyl-4-piperidin-1-yl-1,3-thiazol-5-yl)-1H-pyrazol-5-yl]methyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[[3-(2-phenyl-4-piperidin-1-yl-1,3-thiazol-5-yl)-1H-pyrazol-5-yl]methyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[[3-(2-phenyl-4-piperidin-1-yl-1,3-thiazol-5-yl)-1H-pyrazol-5-yl]methyl]acetamide is O=C(NCc1cc(-c2sc(-c3ccccc3)nc2N2CCCCC2)n[nH]1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[[3-(2-phenyl-4-piperidin-1-yl-1,3-thiazol-5-yl)-1H-pyrazol-5-yl]methyl]acetamide?
The InChIKey is FCWBWYSUYGUCFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N5OS/c21-20(22,23)19(29)24-12-14-11-15(27-26-14)16-17(28-9-5-2-6-10-28)25-18(30-16)13-7-3-1-4-8-13/h1,3-4,7-8,11H,2,5-6,9-10,12H2,(H,24,29)(H,26,27).
What are the key properties of 2,2,2-trifluoro-N-[[3-(2-phenyl-4-piperidin-1-yl-1,3-thiazol-5-yl)-1H-pyrazol-5-yl]methyl]acetamide?
2,2,2-trifluoro-N-[[3-(2-phenyl-4-piperidin-1-yl-1,3-thiazol-5-yl)-1H-pyrazol-5-yl]methyl]acetamide has a molecular weight of 435.48 g/mol, XLogP of 4.37, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[[3-(2-phenyl-4-piperidin-1-yl-1,3-thiazol-5-yl)-1H-pyrazol-5-yl]methyl]acetamide is sourced from PubChem (CID 10224931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).