N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide

C15H12F2N8O2S2 — CID 24626303

About N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide

N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide (PubChem CID 24626303) has the molecular formula C15H12F2N8O2S2 and a molecular weight of 438.45 g/mol. Its IUPAC name is N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide.

Molecular Properties

• Compound Name: N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide
• PubChem CID: 24626303
• Molecular Formula: C15H12F2N8O2S2
• Molecular Weight: 438.45 g/mol
• Exact Mass: 438.05
• IUPAC Name: N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide
• SMILES: Cc1nc(NC(=O)Cn2nnn(-c3cccs3)c2=O)sc1-c1nccn1C(F)F
• InChI: InChI=1S/C15H12F2N8O2S2/c1-8-11(12-18-4-5-23(12)13(16)17)29-14(19-8)20-9(26)7-24-15(27)25(22-21-24)10-3-2-6-28-10/h2-6,13H,7H2,1H3,(H,19,20,26)
• InChIKey: UKPNLHAUAWCJTE-UHFFFAOYSA-N
• XLogP: 2.15
• TPSA: 112.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	438.45
LogP ≤ 5	2.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide?

The IUPAC name of N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide (CID 24626303) is N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide.

What is the SMILES notation for N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide?

The canonical SMILES for N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide is Cc1nc(NC(=O)Cn2nnn(-c3cccs3)c2=O)sc1-c1nccn1C(F)F.

What is the InChIKey of N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide?

The InChIKey is UKPNLHAUAWCJTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N8O2S2/c1-8-11(12-18-4-5-23(12)13(16)17)29-14(19-8)20-9(26)7-24-15(27)25(22-21-24)10-3-2-6-28-10/h2-6,13H,7H2,1H3,(H,19,20,26).

What are the key properties of N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide?

N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide has a molecular weight of 438.45 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide is sourced from PubChem (CID 24626303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).