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

C₈H₇F₃N₄OS — CID 155952097

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

N-methyl-N-(1,2-oxazol-3-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 155952097) has the molecular formula C₈H₇F₃N₄OS and a molecular weight of 264.23 g/mol. Its IUPAC name is N-methyl-N-(1,2-oxazol-3-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

• Compound Name: N-methyl-N-(1,2-oxazol-3-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
• PubChem CID: 155952097
• Molecular Formula: C₈H₇F₃N₄OS
• Molecular Weight: 264.23 g/mol
• Exact Mass: 264.03
• IUPAC Name: N-methyl-N-(1,2-oxazol-3-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
• SMILES: CN(Cc1ccon1)c1nnc(C(F)(F)F)s1
• InChI: InChI=1S/C8H7F3N4OS/c1-15(4-5-2-3-16-14-5)7-13-12-6(17-7)8(9,10)11/h2-3H,4H2,1H3
• InChIKey: KBYVOHYWZBNXED-UHFFFAOYSA-N
• XLogP: 2.18
• TPSA: 55.05 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 17
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	264.23
LogP ≤ 5	2.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-methyl-N-(1,2-oxazol-3-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (CID 155952097) is N-methyl-N-(1,2-oxazol-3-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.

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

The canonical SMILES for N-methyl-N-(1,2-oxazol-3-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is CN(Cc1ccon1)c1nnc(C(F)(F)F)s1.

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

The InChIKey is KBYVOHYWZBNXED-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N4OS/c1-15(4-5-2-3-16-14-5)7-13-12-6(17-7)8(9,10)11/h2-3H,4H2,1H3.

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

N-methyl-N-(1,2-oxazol-3-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 264.23 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-N-(1,2-oxazol-3-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 155952097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155952097 — identifiers, structure, computed properties (public domain)

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