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

C₇H₈N₄OS — CID 79492401

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

5-methyl-N-(1,2-oxazol-3-ylmethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 79492401) has the molecular formula C₇H₈N₄OS and a molecular weight of 196.24 g/mol. Its IUPAC name is 5-methyl-N-(1,2-oxazol-3-ylmethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

• Compound Name: 5-methyl-N-(1,2-oxazol-3-ylmethyl)-1,3,4-thiadiazol-2-amine
• PubChem CID: 79492401
• Molecular Formula: C₇H₈N₄OS
• Molecular Weight: 196.24 g/mol
• Exact Mass: 196.04
• IUPAC Name: 5-methyl-N-(1,2-oxazol-3-ylmethyl)-1,3,4-thiadiazol-2-amine
• SMILES: Cc1nnc(NCc2ccon2)s1
• InChI: InChI=1S/C7H8N4OS/c1-5-9-10-7(13-5)8-4-6-2-3-12-11-6/h2-3H,4H2,1H3,(H,8,10)
• InChIKey: FVWQUNZWFNPYAQ-UHFFFAOYSA-N
• XLogP: 1.45
• TPSA: 63.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 13
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	196.24
LogP ≤ 5	1.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 5-methyl-N-(1,2-oxazol-3-ylmethyl)-1,3,4-thiadiazol-2-amine (CID 79492401) is 5-methyl-N-(1,2-oxazol-3-ylmethyl)-1,3,4-thiadiazol-2-amine.

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

The canonical SMILES for 5-methyl-N-(1,2-oxazol-3-ylmethyl)-1,3,4-thiadiazol-2-amine is Cc1nnc(NCc2ccon2)s1.

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

The InChIKey is FVWQUNZWFNPYAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4OS/c1-5-9-10-7(13-5)8-4-6-2-3-12-11-6/h2-3H,4H2,1H3,(H,8,10).

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

5-methyl-N-(1,2-oxazol-3-ylmethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 196.24 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-N-(1,2-oxazol-3-ylmethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 79492401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 79492401 — identifiers, structure, computed properties (public domain)

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