5,5-diethyl-N-(1,2,4-oxadiazol-3-ylmethyl)-4,6-dihydro-1,3-thiazin-2-amine

C₁₁H₁₈N₄OS — CID 106406406

About 5,5-diethyl-N-(1,2,4-oxadiazol-3-ylmethyl)-4,6-dihydro-1,3-thiazin-2-amine

5,5-diethyl-N-(1,2,4-oxadiazol-3-ylmethyl)-4,6-dihydro-1,3-thiazin-2-amine (PubChem CID 106406406) has the molecular formula C₁₁H₁₈N₄OS and a molecular weight of 254.36 g/mol. Its IUPAC name is 5,5-diethyl-N-(1,2,4-oxadiazol-3-ylmethyl)-4,6-dihydro-1,3-thiazin-2-amine.

Molecular Properties

• Compound Name: 5,5-diethyl-N-(1,2,4-oxadiazol-3-ylmethyl)-4,6-dihydro-1,3-thiazin-2-amine
• PubChem CID: 106406406
• Molecular Formula: C₁₁H₁₈N₄OS
• Molecular Weight: 254.36 g/mol
• Exact Mass: 254.12
• IUPAC Name: 5,5-diethyl-N-(1,2,4-oxadiazol-3-ylmethyl)-4,6-dihydro-1,3-thiazin-2-amine
• SMILES: CCC1(CC)CN=C(NCc2ncon2)SC1
• InChI: InChI=1S/C11H18N4OS/c1-3-11(4-2)6-13-10(17-7-11)12-5-9-14-8-16-15-9/h8H,3-7H2,1-2H3,(H,12,13)
• InChIKey: NQIDEEGWCIPVFY-UHFFFAOYSA-N
• XLogP: 2.07
• TPSA: 63.31 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 17
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	254.36
LogP ≤ 5	2.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5,5-diethyl-N-(1,2,4-oxadiazol-3-ylmethyl)-4,6-dihydro-1,3-thiazin-2-amine?

The IUPAC name of 5,5-diethyl-N-(1,2,4-oxadiazol-3-ylmethyl)-4,6-dihydro-1,3-thiazin-2-amine (CID 106406406) is 5,5-diethyl-N-(1,2,4-oxadiazol-3-ylmethyl)-4,6-dihydro-1,3-thiazin-2-amine.

What is the SMILES notation for 5,5-diethyl-N-(1,2,4-oxadiazol-3-ylmethyl)-4,6-dihydro-1,3-thiazin-2-amine?

The canonical SMILES for 5,5-diethyl-N-(1,2,4-oxadiazol-3-ylmethyl)-4,6-dihydro-1,3-thiazin-2-amine is CCC1(CC)CN=C(NCc2ncon2)SC1.

What is the InChIKey of 5,5-diethyl-N-(1,2,4-oxadiazol-3-ylmethyl)-4,6-dihydro-1,3-thiazin-2-amine?

The InChIKey is NQIDEEGWCIPVFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4OS/c1-3-11(4-2)6-13-10(17-7-11)12-5-9-14-8-16-15-9/h8H,3-7H2,1-2H3,(H,12,13).

What are the key properties of 5,5-diethyl-N-(1,2,4-oxadiazol-3-ylmethyl)-4,6-dihydro-1,3-thiazin-2-amine?

5,5-diethyl-N-(1,2,4-oxadiazol-3-ylmethyl)-4,6-dihydro-1,3-thiazin-2-amine has a molecular weight of 254.36 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5,5-diethyl-N-(1,2,4-oxadiazol-3-ylmethyl)-4,6-dihydro-1,3-thiazin-2-amine is sourced from PubChem (CID 106406406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 106406406 — identifiers, structure, computed properties (public domain)

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