5-iodo-N,N-dimethyl-2H-1,3-thiazole-3-carboxamide

C₆H₉IN₂OS — CID 151721531

About 5-iodo-N,N-dimethyl-2H-1,3-thiazole-3-carboxamide

5-iodo-N,N-dimethyl-2H-1,3-thiazole-3-carboxamide (PubChem CID 151721531) has the molecular formula C₆H₉IN₂OS and a molecular weight of 284.12 g/mol. Its IUPAC name is 5-iodo-N,N-dimethyl-2H-1,3-thiazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-iodo-N,N-dimethyl-2H-1,3-thiazole-3-carboxamide
• PubChem CID: 151721531
• Molecular Formula: C₆H₉IN₂OS
• Molecular Weight: 284.12 g/mol
• Exact Mass: 283.95
• IUPAC Name: 5-iodo-N,N-dimethyl-2H-1,3-thiazole-3-carboxamide
• SMILES: CN(C)C(=O)N1C=C(I)SC1
• InChI: InChI=1S/C6H9IN2OS/c1-8(2)6(10)9-3-5(7)11-4-9/h3H,4H2,1-2H3
• InChIKey: RIRKXHBBEYDIIL-UHFFFAOYSA-N
• XLogP: 1.91
• TPSA: 23.55 Ų
• H-Bond Acceptors: 2
• Heavy Atoms: 11
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	284.12
LogP ≤ 5	1.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-iodo-N,N-dimethyl-2H-1,3-thiazole-3-carboxamide?

The IUPAC name of 5-iodo-N,N-dimethyl-2H-1,3-thiazole-3-carboxamide (CID 151721531) is 5-iodo-N,N-dimethyl-2H-1,3-thiazole-3-carboxamide.

What is the SMILES notation for 5-iodo-N,N-dimethyl-2H-1,3-thiazole-3-carboxamide?

The canonical SMILES for 5-iodo-N,N-dimethyl-2H-1,3-thiazole-3-carboxamide is CN(C)C(=O)N1C=C(I)SC1.

What is the InChIKey of 5-iodo-N,N-dimethyl-2H-1,3-thiazole-3-carboxamide?

The InChIKey is RIRKXHBBEYDIIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9IN2OS/c1-8(2)6(10)9-3-5(7)11-4-9/h3H,4H2,1-2H3.

What are the key properties of 5-iodo-N,N-dimethyl-2H-1,3-thiazole-3-carboxamide?

5-iodo-N,N-dimethyl-2H-1,3-thiazole-3-carboxamide has a molecular weight of 284.12 g/mol, XLogP of 1.91, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 5-iodo-N,N-dimethyl-2H-1,3-thiazole-3-carboxamide is sourced from PubChem (CID 151721531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 151721531 — identifiers, structure, computed properties (public domain)

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