N-(4-fluorophenyl)-N-[[2-(4-hydroxypiperidin-1-yl)-1,3-thiazol-4-yl]methyl]acetamide

C17H20FN3O2S — CID 59542778

IUPACN-(4-fluorophenyl)-N-[[2-(4-hydroxypiperidin-1-yl)-1,3-thiazol-4-yl]methyl]acetamide
SMILESCC(=O)N(Cc1csc(N2CCC(O)CC2)n1)c1ccc(F)cc1
InChIInChI=1S/C17H20FN3O2S/c1-12(22)21(15-4-2-13(18)3-5-15)10-14-11-24-17(19-14)20-8-6-16(23)7-9-20/h2-5,11,16,23H,6-10H2,1H3
InChIKeyPTFYIBGBLULLEF-UHFFFAOYSA-N
MW349.43 g/mol
LogP2.80
Rot. Bonds4

About N-(4-fluorophenyl)-N-[[2-(4-hydroxypiperidin-1-yl)-1,3-thiazol-4-yl]methyl]acetamide

N-(4-fluorophenyl)-N-[[2-(4-hydroxypiperidin-1-yl)-1,3-thiazol-4-yl]methyl]acetamide (PubChem CID 59542778) has the molecular formula C17H20FN3O2S and a molecular weight of 349.43 g/mol. Its IUPAC name is N-(4-fluorophenyl)-N-[[2-(4-hydroxypiperidin-1-yl)-1,3-thiazol-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-N-[[2-(4-hydroxypiperidin-1-yl)-1,3-thiazol-4-yl]methyl]acetamide
PubChem CID59542778
Molecular FormulaC17H20FN3O2S
Molecular Weight349.43 g/mol
Exact Mass349.13
IUPAC NameN-(4-fluorophenyl)-N-[[2-(4-hydroxypiperidin-1-yl)-1,3-thiazol-4-yl]methyl]acetamide
SMILESCC(=O)N(Cc1csc(N2CCC(O)CC2)n1)c1ccc(F)cc1
InChIInChI=1S/C17H20FN3O2S/c1-12(22)21(15-4-2-13(18)3-5-15)10-14-11-24-17(19-14)20-8-6-16(23)7-9-20/h2-5,11,16,23H,6-10H2,1H3
InChIKeyPTFYIBGBLULLEF-UHFFFAOYSA-N
XLogP2.80
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-N-[[2-(4-hydroxypiperidin-1-yl)-1,3-thiazol-4-yl]methyl]acetamide?
The IUPAC name of N-(4-fluorophenyl)-N-[[2-(4-hydroxypiperidin-1-yl)-1,3-thiazol-4-yl]methyl]acetamide (CID 59542778) is N-(4-fluorophenyl)-N-[[2-(4-hydroxypiperidin-1-yl)-1,3-thiazol-4-yl]methyl]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-N-[[2-(4-hydroxypiperidin-1-yl)-1,3-thiazol-4-yl]methyl]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-N-[[2-(4-hydroxypiperidin-1-yl)-1,3-thiazol-4-yl]methyl]acetamide is CC(=O)N(Cc1csc(N2CCC(O)CC2)n1)c1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-N-[[2-(4-hydroxypiperidin-1-yl)-1,3-thiazol-4-yl]methyl]acetamide?
The InChIKey is PTFYIBGBLULLEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O2S/c1-12(22)21(15-4-2-13(18)3-5-15)10-14-11-24-17(19-14)20-8-6-16(23)7-9-20/h2-5,11,16,23H,6-10H2,1H3.
What are the key properties of N-(4-fluorophenyl)-N-[[2-(4-hydroxypiperidin-1-yl)-1,3-thiazol-4-yl]methyl]acetamide?
N-(4-fluorophenyl)-N-[[2-(4-hydroxypiperidin-1-yl)-1,3-thiazol-4-yl]methyl]acetamide has a molecular weight of 349.43 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-N-[[2-(4-hydroxypiperidin-1-yl)-1,3-thiazol-4-yl]methyl]acetamide is sourced from PubChem (CID 59542778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).