4-[4-(bromomethyl)-5-methyl-1,3-thiazol-2-yl]morpholine

C₉H₁₃BrN₂OS — CID 154002466

About 4-[4-(bromomethyl)-5-methyl-1,3-thiazol-2-yl]morpholine

4-[4-(bromomethyl)-5-methyl-1,3-thiazol-2-yl]morpholine (PubChem CID 154002466) has the molecular formula C₉H₁₃BrN₂OS and a molecular weight of 277.19 g/mol. Its IUPAC name is 4-[4-(bromomethyl)-5-methyl-1,3-thiazol-2-yl]morpholine.

Molecular Properties

• Compound Name: 4-[4-(bromomethyl)-5-methyl-1,3-thiazol-2-yl]morpholine
• PubChem CID: 154002466
• Molecular Formula: C₉H₁₃BrN₂OS
• Molecular Weight: 277.19 g/mol
• Exact Mass: 275.99
• IUPAC Name: 4-[4-(bromomethyl)-5-methyl-1,3-thiazol-2-yl]morpholine
• SMILES: Cc1sc(N2CCOCC2)nc1CBr
• InChI: InChI=1S/C9H13BrN2OS/c1-7-8(6-10)11-9(14-7)12-2-4-13-5-3-12/h2-6H2,1H3
• InChIKey: MZSKTIQVSXYPET-UHFFFAOYSA-N
• XLogP: 2.18
• TPSA: 25.36 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 14
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	277.19
LogP ≤ 5	2.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[4-(bromomethyl)-5-methyl-1,3-thiazol-2-yl]morpholine?

The IUPAC name of 4-[4-(bromomethyl)-5-methyl-1,3-thiazol-2-yl]morpholine (CID 154002466) is 4-[4-(bromomethyl)-5-methyl-1,3-thiazol-2-yl]morpholine.

What is the SMILES notation for 4-[4-(bromomethyl)-5-methyl-1,3-thiazol-2-yl]morpholine?

The canonical SMILES for 4-[4-(bromomethyl)-5-methyl-1,3-thiazol-2-yl]morpholine is Cc1sc(N2CCOCC2)nc1CBr.

What is the InChIKey of 4-[4-(bromomethyl)-5-methyl-1,3-thiazol-2-yl]morpholine?

The InChIKey is MZSKTIQVSXYPET-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2OS/c1-7-8(6-10)11-9(14-7)12-2-4-13-5-3-12/h2-6H2,1H3.

What are the key properties of 4-[4-(bromomethyl)-5-methyl-1,3-thiazol-2-yl]morpholine?

4-[4-(bromomethyl)-5-methyl-1,3-thiazol-2-yl]morpholine has a molecular weight of 277.19 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-(bromomethyl)-5-methyl-1,3-thiazol-2-yl]morpholine is sourced from PubChem (CID 154002466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 154002466 — identifiers, structure, computed properties (public domain)

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