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

C17H14N4OS3 — CID 8873886

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

N-(4-methylphenyl)-5-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine (PubChem CID 8873886) has the molecular formula C17H14N4OS3 and a molecular weight of 386.53 g/mol. Its IUPAC name is N-(4-methylphenyl)-5-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

• Compound Name: N-(4-methylphenyl)-5-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
• PubChem CID: 8873886
• Molecular Formula: C17H14N4OS3
• Molecular Weight: 386.53 g/mol
• Exact Mass: 386.03
• IUPAC Name: N-(4-methylphenyl)-5-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
• SMILES: Cc1ccc(Nc2nnc(SCc3coc(-c4cccs4)n3)s2)cc1
• InChI: InChI=1S/C17H14N4OS3/c1-11-4-6-12(7-5-11)19-16-20-21-17(25-16)24-10-13-9-22-15(18-13)14-3-2-8-23-14/h2-9H,10H2,1H3,(H,19,20)
• InChIKey: ZSPFYTAHFAIFPG-UHFFFAOYSA-N
• XLogP: 5.60
• 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	386.53
LogP ≤ 5	5.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of N-(4-methylphenyl)-5-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine (CID 8873886) is N-(4-methylphenyl)-5-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine.

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

The canonical SMILES for N-(4-methylphenyl)-5-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine is Cc1ccc(Nc2nnc(SCc3coc(-c4cccs4)n3)s2)cc1.

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

The InChIKey is ZSPFYTAHFAIFPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4OS3/c1-11-4-6-12(7-5-11)19-16-20-21-17(25-16)24-10-13-9-22-15(18-13)14-3-2-8-23-14/h2-9H,10H2,1H3,(H,19,20).

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

N-(4-methylphenyl)-5-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 386.53 g/mol, XLogP of 5.60, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-methylphenyl)-5-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 8873886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).