N-[(3-methyl-1,2-oxazol-5-yl)methyl]thiadiazol-5-amine

C₇H₈N₄OS — CID 130586021

About N-[(3-methyl-1,2-oxazol-5-yl)methyl]thiadiazol-5-amine

N-[(3-methyl-1,2-oxazol-5-yl)methyl]thiadiazol-5-amine (PubChem CID 130586021) has the molecular formula C₇H₈N₄OS and a molecular weight of 196.24 g/mol. Its IUPAC name is N-[(3-methyl-1,2-oxazol-5-yl)methyl]thiadiazol-5-amine.

Molecular Properties

• Compound Name: N-[(3-methyl-1,2-oxazol-5-yl)methyl]thiadiazol-5-amine
• PubChem CID: 130586021
• Molecular Formula: C₇H₈N₄OS
• Molecular Weight: 196.24 g/mol
• Exact Mass: 196.04
• IUPAC Name: N-[(3-methyl-1,2-oxazol-5-yl)methyl]thiadiazol-5-amine
• SMILES: Cc1cc(CNc2cnns2)on1
• InChI: InChI=1S/C7H8N4OS/c1-5-2-6(12-10-5)3-8-7-4-9-11-13-7/h2,4,8H,3H2,1H3
• InChIKey: MIZKGVSJENCFAB-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 N-[(3-methyl-1,2-oxazol-5-yl)methyl]thiadiazol-5-amine?

The IUPAC name of N-[(3-methyl-1,2-oxazol-5-yl)methyl]thiadiazol-5-amine (CID 130586021) is N-[(3-methyl-1,2-oxazol-5-yl)methyl]thiadiazol-5-amine.

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

The canonical SMILES for N-[(3-methyl-1,2-oxazol-5-yl)methyl]thiadiazol-5-amine is Cc1cc(CNc2cnns2)on1.

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

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

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

N-[(3-methyl-1,2-oxazol-5-yl)methyl]thiadiazol-5-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 N-[(3-methyl-1,2-oxazol-5-yl)methyl]thiadiazol-5-amine is sourced from PubChem (CID 130586021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 130586021 — identifiers, structure, computed properties (public domain)

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