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

C18H20FN3OS — CID 137361838

IUPACN-[5-[[4-[(4-fluorophenyl)methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2CCC(=Cc3ccc(F)cc3)CC2)s1
InChIInChI=1S/C18H20FN3OS/c1-13(23)21-18-20-11-17(24-18)12-22-8-6-15(7-9-22)10-14-2-4-16(19)5-3-14/h2-5,10-11H,6-9,12H2,1H3,(H,20,21,23)
InChIKeyBIQYQJRTRJVYGS-UHFFFAOYSA-N
MW345.44 g/mol
LogP3.92
Rot. Bonds4

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

N-[5-[[4-[(4-fluorophenyl)methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 137361838) has the molecular formula C18H20FN3OS and a molecular weight of 345.44 g/mol. Its IUPAC name is N-[5-[[4-[(4-fluorophenyl)methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[[4-[(4-fluorophenyl)methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID137361838
Molecular FormulaC18H20FN3OS
Molecular Weight345.44 g/mol
Exact Mass345.13
IUPAC NameN-[5-[[4-[(4-fluorophenyl)methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2CCC(=Cc3ccc(F)cc3)CC2)s1
InChIInChI=1S/C18H20FN3OS/c1-13(23)21-18-20-11-17(24-18)12-22-8-6-15(7-9-22)10-14-2-4-16(19)5-3-14/h2-5,10-11H,6-9,12H2,1H3,(H,20,21,23)
InChIKeyBIQYQJRTRJVYGS-UHFFFAOYSA-N
XLogP3.92
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-[[4-[(4-fluorophenyl)methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[[4-[(4-fluorophenyl)methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (CID 137361838) is N-[5-[[4-[(4-fluorophenyl)methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[[4-[(4-fluorophenyl)methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[[4-[(4-fluorophenyl)methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1ncc(CN2CCC(=Cc3ccc(F)cc3)CC2)s1.
What is the InChIKey of N-[5-[[4-[(4-fluorophenyl)methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is BIQYQJRTRJVYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3OS/c1-13(23)21-18-20-11-17(24-18)12-22-8-6-15(7-9-22)10-14-2-4-16(19)5-3-14/h2-5,10-11H,6-9,12H2,1H3,(H,20,21,23).
What are the key properties of N-[5-[[4-[(4-fluorophenyl)methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
N-[5-[[4-[(4-fluorophenyl)methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 345.44 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[4-[(4-fluorophenyl)methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 137361838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).