2-benzyl-5-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-oxadiazole

C19H15N3OS2 — CID 8001462

IUPAC2-benzyl-5-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-oxadiazole
SMILESc1ccc(Cc2nnc(SCc3csc(-c4ccccc4)n3)o2)cc1
InChIInChI=1S/C19H15N3OS2/c1-3-7-14(8-4-1)11-17-21-22-19(23-17)25-13-16-12-24-18(20-16)15-9-5-2-6-10-15/h1-10,12H,11,13H2
InChIKeyZPVYWPITTIHRDR-UHFFFAOYSA-N
MW365.48 g/mol
LogP5.08
Rot. Bonds6

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

2-benzyl-5-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-oxadiazole (PubChem CID 8001462) has the molecular formula C19H15N3OS2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 2-benzyl-5-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-benzyl-5-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-oxadiazole
PubChem CID8001462
Molecular FormulaC19H15N3OS2
Molecular Weight365.48 g/mol
Exact Mass365.07
IUPAC Name2-benzyl-5-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-oxadiazole
SMILESc1ccc(Cc2nnc(SCc3csc(-c4ccccc4)n3)o2)cc1
InChIInChI=1S/C19H15N3OS2/c1-3-7-14(8-4-1)11-17-21-22-19(23-17)25-13-16-12-24-18(20-16)15-9-5-2-6-10-15/h1-10,12H,11,13H2
InChIKeyZPVYWPITTIHRDR-UHFFFAOYSA-N
XLogP5.08
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.48
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-oxadiazole?
The IUPAC name of 2-benzyl-5-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-oxadiazole (CID 8001462) is 2-benzyl-5-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-benzyl-5-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-benzyl-5-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-oxadiazole is c1ccc(Cc2nnc(SCc3csc(-c4ccccc4)n3)o2)cc1.
What is the InChIKey of 2-benzyl-5-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-oxadiazole?
The InChIKey is ZPVYWPITTIHRDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3OS2/c1-3-7-14(8-4-1)11-17-21-22-19(23-17)25-13-16-12-24-18(20-16)15-9-5-2-6-10-15/h1-10,12H,11,13H2.
What are the key properties of 2-benzyl-5-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-oxadiazole?
2-benzyl-5-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-oxadiazole has a molecular weight of 365.48 g/mol, XLogP of 5.08, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-oxadiazole is sourced from PubChem (CID 8001462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).