5-[(3-amino-1,2-thiazol-5-yl)amino]pentanamide

C₈H₁₄N₄OS — CID 106242101

About 5-[(3-amino-1,2-thiazol-5-yl)amino]pentanamide

5-[(3-amino-1,2-thiazol-5-yl)amino]pentanamide (PubChem CID 106242101) has the molecular formula C₈H₁₄N₄OS and a molecular weight of 214.29 g/mol. Its IUPAC name is 5-[(3-amino-1,2-thiazol-5-yl)amino]pentanamide.

Molecular Properties

• Compound Name: 5-[(3-amino-1,2-thiazol-5-yl)amino]pentanamide
• PubChem CID: 106242101
• Molecular Formula: C₈H₁₄N₄OS
• Molecular Weight: 214.29 g/mol
• Exact Mass: 214.09
• IUPAC Name: 5-[(3-amino-1,2-thiazol-5-yl)amino]pentanamide
• SMILES: NC(=O)CCCCNc1cc(N)ns1
• InChI: InChI=1S/C8H14N4OS/c9-6-5-8(14-12-6)11-4-2-1-3-7(10)13/h5,11H,1-4H2,(H2,9,12)(H2,10,13)
• InChIKey: WRATZSWLKJNAGI-UHFFFAOYSA-N
• XLogP: 0.79
• TPSA: 94.03 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 14
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	214.29
LogP ≤ 5	0.79
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[(3-amino-1,2-thiazol-5-yl)amino]pentanamide?

The IUPAC name of 5-[(3-amino-1,2-thiazol-5-yl)amino]pentanamide (CID 106242101) is 5-[(3-amino-1,2-thiazol-5-yl)amino]pentanamide.

What is the SMILES notation for 5-[(3-amino-1,2-thiazol-5-yl)amino]pentanamide?

The canonical SMILES for 5-[(3-amino-1,2-thiazol-5-yl)amino]pentanamide is NC(=O)CCCCNc1cc(N)ns1.

What is the InChIKey of 5-[(3-amino-1,2-thiazol-5-yl)amino]pentanamide?

The InChIKey is WRATZSWLKJNAGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4OS/c9-6-5-8(14-12-6)11-4-2-1-3-7(10)13/h5,11H,1-4H2,(H2,9,12)(H2,10,13).

What are the key properties of 5-[(3-amino-1,2-thiazol-5-yl)amino]pentanamide?

5-[(3-amino-1,2-thiazol-5-yl)amino]pentanamide has a molecular weight of 214.29 g/mol, XLogP of 0.79, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(3-amino-1,2-thiazol-5-yl)amino]pentanamide is sourced from PubChem (CID 106242101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 106242101 — identifiers, structure, computed properties (public domain)

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