N-(1,2-oxazol-3-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine

C₇H₅F₃N₄OS — CID 114448687

About N-(1,2-oxazol-3-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine

N-(1,2-oxazol-3-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 114448687) has the molecular formula C₇H₅F₃N₄OS and a molecular weight of 250.20 g/mol. Its IUPAC name is N-(1,2-oxazol-3-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

• Compound Name: N-(1,2-oxazol-3-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
• PubChem CID: 114448687
• Molecular Formula: C₇H₅F₃N₄OS
• Molecular Weight: 250.20 g/mol
• Exact Mass: 250.01
• IUPAC Name: N-(1,2-oxazol-3-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
• SMILES: FC(F)(F)c1nnc(NCc2ccon2)s1
• InChI: InChI=1S/C7H5F3N4OS/c8-7(9,10)5-12-13-6(16-5)11-3-4-1-2-15-14-4/h1-2H,3H2,(H,11,13)
• InChIKey: BRVOINFOMYPDGO-UHFFFAOYSA-N
• XLogP: 2.16
• TPSA: 63.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 16
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	250.20
LogP ≤ 5	2.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(1,2-oxazol-3-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?

The IUPAC name of N-(1,2-oxazol-3-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (CID 114448687) is N-(1,2-oxazol-3-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.

What is the SMILES notation for N-(1,2-oxazol-3-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?

The canonical SMILES for N-(1,2-oxazol-3-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is FC(F)(F)c1nnc(NCc2ccon2)s1.

What is the InChIKey of N-(1,2-oxazol-3-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?

The InChIKey is BRVOINFOMYPDGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3N4OS/c8-7(9,10)5-12-13-6(16-5)11-3-4-1-2-15-14-4/h1-2H,3H2,(H,11,13).

What are the key properties of N-(1,2-oxazol-3-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?

N-(1,2-oxazol-3-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 250.20 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1,2-oxazol-3-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 114448687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 114448687 — identifiers, structure, computed properties (public domain)

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