N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-piperidin-1-ylacetamide

C17H20FN3OS — CID 1332714

IUPACN-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-piperidin-1-ylacetamide
SMILESO=C(CN1CCCCC1)Nc1ncc(Cc2ccc(F)cc2)s1
InChIInChI=1S/C17H20FN3OS/c18-14-6-4-13(5-7-14)10-15-11-19-17(23-15)20-16(22)12-21-8-2-1-3-9-21/h4-7,11H,1-3,8-10,12H2,(H,19,20,22)
InChIKeyQGSNWDJIUMXOEP-UHFFFAOYSA-N
MW333.43 g/mol
LogP3.30
Rot. Bonds5

About N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-piperidin-1-ylacetamide

N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-piperidin-1-ylacetamide (PubChem CID 1332714) has the molecular formula C17H20FN3OS and a molecular weight of 333.43 g/mol. Its IUPAC name is N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-piperidin-1-ylacetamide.

Molecular Properties

Compound NameN-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-piperidin-1-ylacetamide
PubChem CID1332714
Molecular FormulaC17H20FN3OS
Molecular Weight333.43 g/mol
Exact Mass333.13
IUPAC NameN-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-piperidin-1-ylacetamide
SMILESO=C(CN1CCCCC1)Nc1ncc(Cc2ccc(F)cc2)s1
InChIInChI=1S/C17H20FN3OS/c18-14-6-4-13(5-7-14)10-15-11-19-17(23-15)20-16(22)12-21-8-2-1-3-9-21/h4-7,11H,1-3,8-10,12H2,(H,19,20,22)
InChIKeyQGSNWDJIUMXOEP-UHFFFAOYSA-N
XLogP3.30
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-piperidin-1-ylacetamide?
The IUPAC name of N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-piperidin-1-ylacetamide (CID 1332714) is N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-piperidin-1-ylacetamide.
What is the SMILES notation for N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-piperidin-1-ylacetamide?
The canonical SMILES for N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-piperidin-1-ylacetamide is O=C(CN1CCCCC1)Nc1ncc(Cc2ccc(F)cc2)s1.
What is the InChIKey of N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-piperidin-1-ylacetamide?
The InChIKey is QGSNWDJIUMXOEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3OS/c18-14-6-4-13(5-7-14)10-15-11-19-17(23-15)20-16(22)12-21-8-2-1-3-9-21/h4-7,11H,1-3,8-10,12H2,(H,19,20,22).
What are the key properties of N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-piperidin-1-ylacetamide?
N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-piperidin-1-ylacetamide has a molecular weight of 333.43 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-piperidin-1-ylacetamide is sourced from PubChem (CID 1332714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).