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

C19H16N4OS2 — CID 9118504

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

N-(3-methylphenyl)-5-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine (PubChem CID 9118504) has the molecular formula C19H16N4OS2 and a molecular weight of 380.50 g/mol. Its IUPAC name is N-(3-methylphenyl)-5-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

• Compound Name: N-(3-methylphenyl)-5-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
• PubChem CID: 9118504
• Molecular Formula: C19H16N4OS2
• Molecular Weight: 380.50 g/mol
• Exact Mass: 380.08
• IUPAC Name: N-(3-methylphenyl)-5-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
• SMILES: Cc1cccc(Nc2nnc(SCc3ncc(-c4ccccc4)o3)s2)c1
• InChI: InChI=1S/C19H16N4OS2/c1-13-6-5-9-15(10-13)21-18-22-23-19(26-18)25-12-17-20-11-16(24-17)14-7-3-2-4-8-14/h2-11H,12H2,1H3,(H,21,22)
• InChIKey: HSZAOIJSIRXAOY-UHFFFAOYSA-N
• XLogP: 5.54
• TPSA: 63.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	380.50
LogP ≤ 5	5.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-(3-methylphenyl)-5-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine (CID 9118504) is N-(3-methylphenyl)-5-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine.

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

The canonical SMILES for N-(3-methylphenyl)-5-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine is Cc1cccc(Nc2nnc(SCc3ncc(-c4ccccc4)o3)s2)c1.

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

The InChIKey is HSZAOIJSIRXAOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4OS2/c1-13-6-5-9-15(10-13)21-18-22-23-19(26-18)25-12-17-20-11-16(24-17)14-7-3-2-4-8-14/h2-11H,12H2,1H3,(H,21,22).

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

N-(3-methylphenyl)-5-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 380.50 g/mol, XLogP of 5.54, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-methylphenyl)-5-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 9118504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).