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

C23H25FN4OS2 — CID 3515346

IUPACN-[[1-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methyl]-2-phenylsulfanylacetamide
SMILESO=C(CSc1ccccc1)NCC1CCN(c2nc(Cc3ccc(F)cc3)ns2)CC1
InChIInChI=1S/C23H25FN4OS2/c24-19-8-6-17(7-9-19)14-21-26-23(31-27-21)28-12-10-18(11-13-28)15-25-22(29)16-30-20-4-2-1-3-5-20/h1-9,18H,10-16H2,(H,25,29)
InChIKeyPFZZJUNIECFKRK-UHFFFAOYSA-N
MW456.61 g/mol
LogP4.39
Rot. Bonds8

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

N-[[1-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methyl]-2-phenylsulfanylacetamide (PubChem CID 3515346) has the molecular formula C23H25FN4OS2 and a molecular weight of 456.61 g/mol. Its IUPAC name is N-[[1-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methyl]-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-[[1-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methyl]-2-phenylsulfanylacetamide
PubChem CID3515346
Molecular FormulaC23H25FN4OS2
Molecular Weight456.61 g/mol
Exact Mass456.15
IUPAC NameN-[[1-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methyl]-2-phenylsulfanylacetamide
SMILESO=C(CSc1ccccc1)NCC1CCN(c2nc(Cc3ccc(F)cc3)ns2)CC1
InChIInChI=1S/C23H25FN4OS2/c24-19-8-6-17(7-9-19)14-21-26-23(31-27-21)28-12-10-18(11-13-28)15-25-22(29)16-30-20-4-2-1-3-5-20/h1-9,18H,10-16H2,(H,25,29)
InChIKeyPFZZJUNIECFKRK-UHFFFAOYSA-N
XLogP4.39
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.61
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methyl]-2-phenylsulfanylacetamide?
The IUPAC name of N-[[1-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methyl]-2-phenylsulfanylacetamide (CID 3515346) is N-[[1-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methyl]-2-phenylsulfanylacetamide.
What is the SMILES notation for N-[[1-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methyl]-2-phenylsulfanylacetamide?
The canonical SMILES for N-[[1-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methyl]-2-phenylsulfanylacetamide is O=C(CSc1ccccc1)NCC1CCN(c2nc(Cc3ccc(F)cc3)ns2)CC1.
What is the InChIKey of N-[[1-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methyl]-2-phenylsulfanylacetamide?
The InChIKey is PFZZJUNIECFKRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4OS2/c24-19-8-6-17(7-9-19)14-21-26-23(31-27-21)28-12-10-18(11-13-28)15-25-22(29)16-30-20-4-2-1-3-5-20/h1-9,18H,10-16H2,(H,25,29).
What are the key properties of N-[[1-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methyl]-2-phenylsulfanylacetamide?
N-[[1-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methyl]-2-phenylsulfanylacetamide has a molecular weight of 456.61 g/mol, XLogP of 4.39, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methyl]-2-phenylsulfanylacetamide is sourced from PubChem (CID 3515346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).