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

C18H16N6O2S2 — CID 16580689

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

N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide (PubChem CID 16580689) has the molecular formula C18H16N6O2S2 and a molecular weight of 412.50 g/mol. Its IUPAC name is N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide.

Molecular Properties

• Compound Name: N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide
• PubChem CID: 16580689
• Molecular Formula: C18H16N6O2S2
• Molecular Weight: 412.50 g/mol
• Exact Mass: 412.08
• IUPAC Name: N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide
• SMILES: Cc1ccc(Cn2ccs/c2=N\C(=O)Cn2nnn(-c3cccs3)c2=O)cc1
• InChI: InChI=1S/C18H16N6O2S2/c1-13-4-6-14(7-5-13)11-22-8-10-28-17(22)19-15(25)12-23-18(26)24(21-20-23)16-3-2-9-27-16/h2-10H,11-12H2,1H3/b19-17-
• InChIKey: CEWUBXZQHZLPFB-ZPHPHTNESA-N
• XLogP: 1.84
• TPSA: 87.07 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	412.50
LogP ≤ 5	1.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide (CID 16580689) is N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide.

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

The canonical SMILES for N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide is Cc1ccc(Cn2ccs/c2=N\C(=O)Cn2nnn(-c3cccs3)c2=O)cc1.

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

The InChIKey is CEWUBXZQHZLPFB-ZPHPHTNESA-N. The full InChI is InChI=1S/C18H16N6O2S2/c1-13-4-6-14(7-5-13)11-22-8-10-28-17(22)19-15(25)12-23-18(26)24(21-20-23)16-3-2-9-27-16/h2-10H,11-12H2,1H3/b19-17-.

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

N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide has a molecular weight of 412.50 g/mol, XLogP of 1.84, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide is sourced from PubChem (CID 16580689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).