5-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-N-(4-phenoxyphenyl)-1,3,4-thiadiazol-2-amine

C18H15N5O2S2 — CID 9220434

About 5-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-N-(4-phenoxyphenyl)-1,3,4-thiadiazol-2-amine

5-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-N-(4-phenoxyphenyl)-1,3,4-thiadiazol-2-amine (PubChem CID 9220434) has the molecular formula C18H15N5O2S2 and a molecular weight of 397.49 g/mol. Its IUPAC name is 5-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-N-(4-phenoxyphenyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

• Compound Name: 5-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-N-(4-phenoxyphenyl)-1,3,4-thiadiazol-2-amine
• PubChem CID: 9220434
• Molecular Formula: C18H15N5O2S2
• Molecular Weight: 397.49 g/mol
• Exact Mass: 397.07
• IUPAC Name: 5-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-N-(4-phenoxyphenyl)-1,3,4-thiadiazol-2-amine
• SMILES: Cc1nnc(CSc2nnc(Nc3ccc(Oc4ccccc4)cc3)s2)o1
• InChI: InChI=1S/C18H15N5O2S2/c1-12-20-21-16(24-12)11-26-18-23-22-17(27-18)19-13-7-9-15(10-8-13)25-14-5-3-2-4-6-14/h2-10H,11H2,1H3,(H,19,22)
• InChIKey: QLISQXOJPQMYOM-UHFFFAOYSA-N
• XLogP: 5.06
• TPSA: 85.96 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	397.49
LogP ≤ 5	5.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-N-(4-phenoxyphenyl)-1,3,4-thiadiazol-2-amine?

The IUPAC name of 5-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-N-(4-phenoxyphenyl)-1,3,4-thiadiazol-2-amine (CID 9220434) is 5-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-N-(4-phenoxyphenyl)-1,3,4-thiadiazol-2-amine.

What is the SMILES notation for 5-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-N-(4-phenoxyphenyl)-1,3,4-thiadiazol-2-amine?

The canonical SMILES for 5-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-N-(4-phenoxyphenyl)-1,3,4-thiadiazol-2-amine is Cc1nnc(CSc2nnc(Nc3ccc(Oc4ccccc4)cc3)s2)o1.

What is the InChIKey of 5-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-N-(4-phenoxyphenyl)-1,3,4-thiadiazol-2-amine?

The InChIKey is QLISQXOJPQMYOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O2S2/c1-12-20-21-16(24-12)11-26-18-23-22-17(27-18)19-13-7-9-15(10-8-13)25-14-5-3-2-4-6-14/h2-10H,11H2,1H3,(H,19,22).

What are the key properties of 5-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-N-(4-phenoxyphenyl)-1,3,4-thiadiazol-2-amine?

5-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-N-(4-phenoxyphenyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 397.49 g/mol, XLogP of 5.06, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-N-(4-phenoxyphenyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 9220434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).