2-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methylsulfanyl]-5-pyridin-3-yl-1,3,4-oxadiazole

C18H13FN4O2S2 — CID 46803094

IUPAC2-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methylsulfanyl]-5-pyridin-3-yl-1,3,4-oxadiazole
SMILESFc1ccc(OCc2nc(CSc3nnc(-c4cccnc4)o3)cs2)cc1
InChIInChI=1S/C18H13FN4O2S2/c19-13-3-5-15(6-4-13)24-9-16-21-14(10-26-16)11-27-18-23-22-17(25-18)12-2-1-7-20-8-12/h1-8,10H,9,11H2
InChIKeyIGEGCZAPESGUFA-UHFFFAOYSA-N
MW400.46 g/mol
LogP4.60
Rot. Bonds7

About 2-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methylsulfanyl]-5-pyridin-3-yl-1,3,4-oxadiazole

2-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methylsulfanyl]-5-pyridin-3-yl-1,3,4-oxadiazole (PubChem CID 46803094) has the molecular formula C18H13FN4O2S2 and a molecular weight of 400.46 g/mol. Its IUPAC name is 2-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methylsulfanyl]-5-pyridin-3-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methylsulfanyl]-5-pyridin-3-yl-1,3,4-oxadiazole
PubChem CID46803094
Molecular FormulaC18H13FN4O2S2
Molecular Weight400.46 g/mol
Exact Mass400.05
IUPAC Name2-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methylsulfanyl]-5-pyridin-3-yl-1,3,4-oxadiazole
SMILESFc1ccc(OCc2nc(CSc3nnc(-c4cccnc4)o3)cs2)cc1
InChIInChI=1S/C18H13FN4O2S2/c19-13-3-5-15(6-4-13)24-9-16-21-14(10-26-16)11-27-18-23-22-17(25-18)12-2-1-7-20-8-12/h1-8,10H,9,11H2
InChIKeyIGEGCZAPESGUFA-UHFFFAOYSA-N
XLogP4.60
TPSA73.93 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methylsulfanyl]-5-pyridin-3-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methylsulfanyl]-5-pyridin-3-yl-1,3,4-oxadiazole (CID 46803094) is 2-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methylsulfanyl]-5-pyridin-3-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methylsulfanyl]-5-pyridin-3-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methylsulfanyl]-5-pyridin-3-yl-1,3,4-oxadiazole is Fc1ccc(OCc2nc(CSc3nnc(-c4cccnc4)o3)cs2)cc1.
What is the InChIKey of 2-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methylsulfanyl]-5-pyridin-3-yl-1,3,4-oxadiazole?
The InChIKey is IGEGCZAPESGUFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN4O2S2/c19-13-3-5-15(6-4-13)24-9-16-21-14(10-26-16)11-27-18-23-22-17(25-18)12-2-1-7-20-8-12/h1-8,10H,9,11H2.
What are the key properties of 2-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methylsulfanyl]-5-pyridin-3-yl-1,3,4-oxadiazole?
2-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methylsulfanyl]-5-pyridin-3-yl-1,3,4-oxadiazole has a molecular weight of 400.46 g/mol, XLogP of 4.60, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methylsulfanyl]-5-pyridin-3-yl-1,3,4-oxadiazole is sourced from PubChem (CID 46803094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).