(2-bromo-1,3-thiazol-5-yl)-morpholin-4-ylmethanone

C₈H₉BrN₂O₂S — CID 67110494

About (2-bromo-1,3-thiazol-5-yl)-morpholin-4-ylmethanone

(2-bromo-1,3-thiazol-5-yl)-morpholin-4-ylmethanone (PubChem CID 67110494) has the molecular formula C₈H₉BrN₂O₂S and a molecular weight of 277.14 g/mol. Its IUPAC name is (2-bromo-1,3-thiazol-5-yl)-morpholin-4-ylmethanone.

Molecular Properties

• Compound Name: (2-bromo-1,3-thiazol-5-yl)-morpholin-4-ylmethanone
• PubChem CID: 67110494
• Molecular Formula: C₈H₉BrN₂O₂S
• Molecular Weight: 277.14 g/mol
• Exact Mass: 275.96
• IUPAC Name: (2-bromo-1,3-thiazol-5-yl)-morpholin-4-ylmethanone
• SMILES: O=C(c1cnc(Br)s1)N1CCOCC1
• InChI: InChI=1S/C8H9BrN2O2S/c9-8-10-5-6(14-8)7(12)11-1-3-13-4-2-11/h5H,1-4H2
• InChIKey: GNUFHVNMXFLYTR-UHFFFAOYSA-N
• XLogP: 1.38
• TPSA: 42.43 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 1
• Heavy Atoms: 14
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	277.14
LogP ≤ 5	1.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (2-bromo-1,3-thiazol-5-yl)-morpholin-4-ylmethanone?

The IUPAC name of (2-bromo-1,3-thiazol-5-yl)-morpholin-4-ylmethanone (CID 67110494) is (2-bromo-1,3-thiazol-5-yl)-morpholin-4-ylmethanone.

What is the SMILES notation for (2-bromo-1,3-thiazol-5-yl)-morpholin-4-ylmethanone?

The canonical SMILES for (2-bromo-1,3-thiazol-5-yl)-morpholin-4-ylmethanone is O=C(c1cnc(Br)s1)N1CCOCC1.

What is the InChIKey of (2-bromo-1,3-thiazol-5-yl)-morpholin-4-ylmethanone?

The InChIKey is GNUFHVNMXFLYTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN2O2S/c9-8-10-5-6(14-8)7(12)11-1-3-13-4-2-11/h5H,1-4H2.

What are the key properties of (2-bromo-1,3-thiazol-5-yl)-morpholin-4-ylmethanone?

(2-bromo-1,3-thiazol-5-yl)-morpholin-4-ylmethanone has a molecular weight of 277.14 g/mol, XLogP of 1.38, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2-bromo-1,3-thiazol-5-yl)-morpholin-4-ylmethanone is sourced from PubChem (CID 67110494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 67110494 — identifiers, structure, computed properties (public domain)

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