2-amino-N-[1-(2,4-difluorophenyl)ethyl]-1,3-thiazole-4-carboxamide

C₁₂H₁₁F₂N₃OS — CID 62787678

About 2-amino-N-[1-(2,4-difluorophenyl)ethyl]-1,3-thiazole-4-carboxamide

2-amino-N-[1-(2,4-difluorophenyl)ethyl]-1,3-thiazole-4-carboxamide (PubChem CID 62787678) has the molecular formula C₁₂H₁₁F₂N₃OS and a molecular weight of 283.30 g/mol. Its IUPAC name is 2-amino-N-[1-(2,4-difluorophenyl)ethyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: 2-amino-N-[1-(2,4-difluorophenyl)ethyl]-1,3-thiazole-4-carboxamide
• PubChem CID: 62787678
• Molecular Formula: C₁₂H₁₁F₂N₃OS
• Molecular Weight: 283.30 g/mol
• Exact Mass: 283.06
• IUPAC Name: 2-amino-N-[1-(2,4-difluorophenyl)ethyl]-1,3-thiazole-4-carboxamide
• SMILES: CC(NC(=O)c1csc(N)n1)c1ccc(F)cc1F
• InChI: InChI=1S/C12H11F2N3OS/c1-6(8-3-2-7(13)4-9(8)14)16-11(18)10-5-19-12(15)17-10/h2-6H,1H3,(H2,15,17)(H,16,18)
• InChIKey: IAAVGJAVOTVLQZ-UHFFFAOYSA-N
• XLogP: 2.49
• TPSA: 68.01 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	283.30
LogP ≤ 5	2.49
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(2,4-difluorophenyl)ethyl]-1,3-thiazole-4-carboxamide?

The IUPAC name of 2-amino-N-[1-(2,4-difluorophenyl)ethyl]-1,3-thiazole-4-carboxamide (CID 62787678) is 2-amino-N-[1-(2,4-difluorophenyl)ethyl]-1,3-thiazole-4-carboxamide.

What is the SMILES notation for 2-amino-N-[1-(2,4-difluorophenyl)ethyl]-1,3-thiazole-4-carboxamide?

The canonical SMILES for 2-amino-N-[1-(2,4-difluorophenyl)ethyl]-1,3-thiazole-4-carboxamide is CC(NC(=O)c1csc(N)n1)c1ccc(F)cc1F.

What is the InChIKey of 2-amino-N-[1-(2,4-difluorophenyl)ethyl]-1,3-thiazole-4-carboxamide?

The InChIKey is IAAVGJAVOTVLQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2N3OS/c1-6(8-3-2-7(13)4-9(8)14)16-11(18)10-5-19-12(15)17-10/h2-6H,1H3,(H2,15,17)(H,16,18).

What are the key properties of 2-amino-N-[1-(2,4-difluorophenyl)ethyl]-1,3-thiazole-4-carboxamide?

2-amino-N-[1-(2,4-difluorophenyl)ethyl]-1,3-thiazole-4-carboxamide has a molecular weight of 283.30 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-N-[1-(2,4-difluorophenyl)ethyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 62787678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 62787678 — identifiers, structure, computed properties (public domain)

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