(2S)-N-(5-bromo-1,3-thiazol-2-yl)-2-(methylamino)propanamide

C₇H₁₀BrN₃OS — CID 130563823

About (2S)-N-(5-bromo-1,3-thiazol-2-yl)-2-(methylamino)propanamide

(2S)-N-(5-bromo-1,3-thiazol-2-yl)-2-(methylamino)propanamide (PubChem CID 130563823) has the molecular formula C₇H₁₀BrN₃OS and a molecular weight of 264.15 g/mol. Its IUPAC name is (2S)-N-(5-bromo-1,3-thiazol-2-yl)-2-(methylamino)propanamide.

Molecular Properties

• Compound Name: (2S)-N-(5-bromo-1,3-thiazol-2-yl)-2-(methylamino)propanamide
• PubChem CID: 130563823
• Molecular Formula: C₇H₁₀BrN₃OS
• Molecular Weight: 264.15 g/mol
• Exact Mass: 262.97
• IUPAC Name: (2S)-N-(5-bromo-1,3-thiazol-2-yl)-2-(methylamino)propanamide
• SMILES: CN[C@@H](C)C(=O)Nc1ncc(Br)s1
• InChI: InChI=1S/C7H10BrN3OS/c1-4(9-2)6(12)11-7-10-3-5(8)13-7/h3-4,9H,1-2H3,(H,10,11,12)/t4-/m0/s1
• InChIKey: ACEWIVUIOXRQGG-BYPYZUCNSA-N
• XLogP: 1.45
• TPSA: 54.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 13
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	264.15
LogP ≤ 5	1.45
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(5-bromo-1,3-thiazol-2-yl)-2-(methylamino)propanamide?

The IUPAC name of (2S)-N-(5-bromo-1,3-thiazol-2-yl)-2-(methylamino)propanamide (CID 130563823) is (2S)-N-(5-bromo-1,3-thiazol-2-yl)-2-(methylamino)propanamide.

What is the SMILES notation for (2S)-N-(5-bromo-1,3-thiazol-2-yl)-2-(methylamino)propanamide?

The canonical SMILES for (2S)-N-(5-bromo-1,3-thiazol-2-yl)-2-(methylamino)propanamide is CN[C@@H](C)C(=O)Nc1ncc(Br)s1.

What is the InChIKey of (2S)-N-(5-bromo-1,3-thiazol-2-yl)-2-(methylamino)propanamide?

The InChIKey is ACEWIVUIOXRQGG-BYPYZUCNSA-N. The full InChI is InChI=1S/C7H10BrN3OS/c1-4(9-2)6(12)11-7-10-3-5(8)13-7/h3-4,9H,1-2H3,(H,10,11,12)/t4-/m0/s1.

What are the key properties of (2S)-N-(5-bromo-1,3-thiazol-2-yl)-2-(methylamino)propanamide?

(2S)-N-(5-bromo-1,3-thiazol-2-yl)-2-(methylamino)propanamide has a molecular weight of 264.15 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-N-(5-bromo-1,3-thiazol-2-yl)-2-(methylamino)propanamide is sourced from PubChem (CID 130563823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 130563823 — identifiers, structure, computed properties (public domain)

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