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

C17H11FN4OS2 — CID 17409361

IUPAC2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-5-pyridin-4-yl-1,3,4-oxadiazole
SMILESFc1ccc(-c2nc(CSc3nnc(-c4ccncc4)o3)cs2)cc1
InChIInChI=1S/C17H11FN4OS2/c18-13-3-1-12(2-4-13)16-20-14(9-24-16)10-25-17-22-21-15(23-17)11-5-7-19-8-6-11/h1-9H,10H2
InChIKeyMBUDURANNXQETI-UHFFFAOYSA-N
MW370.43 g/mol
LogP4.69
Rot. Bonds5

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

2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-5-pyridin-4-yl-1,3,4-oxadiazole (PubChem CID 17409361) has the molecular formula C17H11FN4OS2 and a molecular weight of 370.43 g/mol. Its IUPAC name is 2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-5-pyridin-4-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-5-pyridin-4-yl-1,3,4-oxadiazole
PubChem CID17409361
Molecular FormulaC17H11FN4OS2
Molecular Weight370.43 g/mol
Exact Mass370.04
IUPAC Name2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-5-pyridin-4-yl-1,3,4-oxadiazole
SMILESFc1ccc(-c2nc(CSc3nnc(-c4ccncc4)o3)cs2)cc1
InChIInChI=1S/C17H11FN4OS2/c18-13-3-1-12(2-4-13)16-20-14(9-24-16)10-25-17-22-21-15(23-17)11-5-7-19-8-6-11/h1-9H,10H2
InChIKeyMBUDURANNXQETI-UHFFFAOYSA-N
XLogP4.69
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-5-pyridin-4-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-5-pyridin-4-yl-1,3,4-oxadiazole (CID 17409361) is 2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-5-pyridin-4-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-5-pyridin-4-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-5-pyridin-4-yl-1,3,4-oxadiazole is Fc1ccc(-c2nc(CSc3nnc(-c4ccncc4)o3)cs2)cc1.
What is the InChIKey of 2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-5-pyridin-4-yl-1,3,4-oxadiazole?
The InChIKey is MBUDURANNXQETI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11FN4OS2/c18-13-3-1-12(2-4-13)16-20-14(9-24-16)10-25-17-22-21-15(23-17)11-5-7-19-8-6-11/h1-9H,10H2.
What are the key properties of 2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-5-pyridin-4-yl-1,3,4-oxadiazole?
2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-5-pyridin-4-yl-1,3,4-oxadiazole has a molecular weight of 370.43 g/mol, XLogP of 4.69, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-5-pyridin-4-yl-1,3,4-oxadiazole is sourced from PubChem (CID 17409361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).