N-(3-fluorophenyl)-5-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine

C16H11FN4OS3 — CID 8674330

About N-(3-fluorophenyl)-5-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine

N-(3-fluorophenyl)-5-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine (PubChem CID 8674330) has the molecular formula C16H11FN4OS3 and a molecular weight of 390.49 g/mol. Its IUPAC name is N-(3-fluorophenyl)-5-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

• Compound Name: N-(3-fluorophenyl)-5-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
• PubChem CID: 8674330
• Molecular Formula: C16H11FN4OS3
• Molecular Weight: 390.49 g/mol
• Exact Mass: 390.01
• IUPAC Name: N-(3-fluorophenyl)-5-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
• SMILES: Fc1cccc(Nc2nnc(SCc3coc(-c4cccs4)n3)s2)c1
• InChI: InChI=1S/C16H11FN4OS3/c17-10-3-1-4-11(7-10)19-15-20-21-16(25-15)24-9-12-8-22-14(18-12)13-5-2-6-23-13/h1-8H,9H2,(H,19,20)
• InChIKey: IKLULHICYORACE-UHFFFAOYSA-N
• XLogP: 5.43
• TPSA: 63.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	390.49
LogP ≤ 5	5.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-5-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine?

The IUPAC name of N-(3-fluorophenyl)-5-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine (CID 8674330) is N-(3-fluorophenyl)-5-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine.

What is the SMILES notation for N-(3-fluorophenyl)-5-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine?

The canonical SMILES for N-(3-fluorophenyl)-5-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine is Fc1cccc(Nc2nnc(SCc3coc(-c4cccs4)n3)s2)c1.

What is the InChIKey of N-(3-fluorophenyl)-5-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine?

The InChIKey is IKLULHICYORACE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN4OS3/c17-10-3-1-4-11(7-10)19-15-20-21-16(25-15)24-9-12-8-22-14(18-12)13-5-2-6-23-13/h1-8H,9H2,(H,19,20).

What are the key properties of N-(3-fluorophenyl)-5-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine?

N-(3-fluorophenyl)-5-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 390.49 g/mol, XLogP of 5.43, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-fluorophenyl)-5-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 8674330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).