Methyl 2-(4-propan-2-ylmorpholin-2-yl)-1,3-thiazole-5-carboxylate

C₁₂H₁₈N₂O₃S — CID 80572523

About Methyl 2-(4-propan-2-ylmorpholin-2-yl)-1,3-thiazole-5-carboxylate

Methyl 2-(4-propan-2-ylmorpholin-2-yl)-1,3-thiazole-5-carboxylate (PubChem CID 80572523) has the molecular formula C₁₂H₁₈N₂O₃S and a molecular weight of 270.35 g/mol. Its IUPAC name is methyl 2-(4-propan-2-ylmorpholin-2-yl)-1,3-thiazole-5-carboxylate.

Molecular Properties

• Compound Name: Methyl 2-(4-propan-2-ylmorpholin-2-yl)-1,3-thiazole-5-carboxylate
• PubChem CID: 80572523
• Molecular Formula: C₁₂H₁₈N₂O₃S
• Molecular Weight: 270.35 g/mol
• Exact Mass: 270.10
• IUPAC Name: methyl 2-(4-propan-2-ylmorpholin-2-yl)-1,3-thiazole-5-carboxylate
• SMILES: COC(=O)c1cnc(C2CN(C(C)C)CCO2)s1
• InChI: InChI=1S/C12H18N2O3S/c1-8(2)14-4-5-17-9(7-14)11-13-6-10(18-11)12(15)16-3/h6,8-9H,4-5,7H2,1-3H3
• InChIKey: FFIFYYMHCUUQEM-UHFFFAOYSA-N
• XLogP: 1.71
• TPSA: 51.66 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	270.35
LogP ≤ 5	1.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of Methyl 2-(4-propan-2-ylmorpholin-2-yl)-1,3-thiazole-5-carboxylate?

The IUPAC name of Methyl 2-(4-propan-2-ylmorpholin-2-yl)-1,3-thiazole-5-carboxylate (CID 80572523) is methyl 2-(4-propan-2-ylmorpholin-2-yl)-1,3-thiazole-5-carboxylate.

What is the SMILES notation for Methyl 2-(4-propan-2-ylmorpholin-2-yl)-1,3-thiazole-5-carboxylate?

The canonical SMILES for Methyl 2-(4-propan-2-ylmorpholin-2-yl)-1,3-thiazole-5-carboxylate is COC(=O)c1cnc(C2CN(C(C)C)CCO2)s1.

What is the InChIKey of Methyl 2-(4-propan-2-ylmorpholin-2-yl)-1,3-thiazole-5-carboxylate?

The InChIKey is FFIFYYMHCUUQEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-8(2)14-4-5-17-9(7-14)11-13-6-10(18-11)12(15)16-3/h6,8-9H,4-5,7H2,1-3H3.

What are the key properties of Methyl 2-(4-propan-2-ylmorpholin-2-yl)-1,3-thiazole-5-carboxylate?

Methyl 2-(4-propan-2-ylmorpholin-2-yl)-1,3-thiazole-5-carboxylate has a molecular weight of 270.35 g/mol, XLogP of 1.71, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for Methyl 2-(4-propan-2-ylmorpholin-2-yl)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 80572523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 80572523 — identifiers, structure, computed properties (public domain)

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