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

C19H14ClFN4OS2 — CID 27068790

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

5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-N-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-amine (PubChem CID 27068790) has the molecular formula C19H14ClFN4OS2 and a molecular weight of 432.93 g/mol. Its IUPAC name is 5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-N-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

• Compound Name: 5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-N-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-amine
• PubChem CID: 27068790
• Molecular Formula: C19H14ClFN4OS2
• Molecular Weight: 432.93 g/mol
• Exact Mass: 432.03
• IUPAC Name: 5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-N-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-amine
• SMILES: Fc1ccc(CNc2nnc(SCc3ncc(-c4ccc(Cl)cc4)o3)s2)cc1
• InChI: InChI=1S/C19H14ClFN4OS2/c20-14-5-3-13(4-6-14)16-10-22-17(26-16)11-27-19-25-24-18(28-19)23-9-12-1-7-15(21)8-2-12/h1-8,10H,9,11H2,(H,23,24)
• InChIKey: PMBVANCLBHWGRL-UHFFFAOYSA-N
• XLogP: 5.89
• TPSA: 63.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	432.93
LogP ≤ 5	5.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-N-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-amine (CID 27068790) is 5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-N-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-amine.

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

The canonical SMILES for 5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-N-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-amine is Fc1ccc(CNc2nnc(SCc3ncc(-c4ccc(Cl)cc4)o3)s2)cc1.

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

The InChIKey is PMBVANCLBHWGRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClFN4OS2/c20-14-5-3-13(4-6-14)16-10-22-17(26-16)11-27-19-25-24-18(28-19)23-9-12-1-7-15(21)8-2-12/h1-8,10H,9,11H2,(H,23,24).

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

5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-N-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 432.93 g/mol, XLogP of 5.89, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-N-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 27068790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).