2-[1-(1,3-benzodioxol-5-yl)tetrazol-5-yl]sulfanyl-N-(6-methyl-2-pyridinyl)acetamide

C16H14N6O3S — CID 1175668

About 2-[1-(1,3-benzodioxol-5-yl)tetrazol-5-yl]sulfanyl-N-(6-methyl-2-pyridinyl)acetamide

2-[1-(1,3-benzodioxol-5-yl)tetrazol-5-yl]sulfanyl-N-(6-methyl-2-pyridinyl)acetamide (PubChem CID 1175668) has the molecular formula C16H14N6O3S and a molecular weight of 370.39 g/mol. Its IUPAC name is 2-[1-(1,3-benzodioxol-5-yl)tetrazol-5-yl]sulfanyl-N-(6-methyl-2-pyridinyl)acetamide.

Molecular Properties

• Compound Name: 2-[1-(1,3-benzodioxol-5-yl)tetrazol-5-yl]sulfanyl-N-(6-methyl-2-pyridinyl)acetamide
• PubChem CID: 1175668
• Molecular Formula: C16H14N6O3S
• Molecular Weight: 370.39 g/mol
• Exact Mass: 370.08
• IUPAC Name: 2-[1-(1,3-benzodioxol-5-yl)tetrazol-5-yl]sulfanyl-N-(6-methyl-2-pyridinyl)acetamide
• SMILES: Cc1cccc(NC(=O)CSc2nnnn2-c2ccc3c(c2)OCO3)n1
• InChI: InChI=1S/C16H14N6O3S/c1-10-3-2-4-14(17-10)18-15(23)8-26-16-19-20-21-22(16)11-5-6-12-13(7-11)25-9-24-12/h2-7H,8-9H2,1H3,(H,17,18,23)
• InChIKey: JERLQEDQERAFNO-UHFFFAOYSA-N
• XLogP: 1.83
• TPSA: 104.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	370.39
LogP ≤ 5	1.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1,3-benzodioxol-5-yl)tetrazol-5-yl]sulfanyl-N-(6-methyl-2-pyridinyl)acetamide?

The IUPAC name of 2-[1-(1,3-benzodioxol-5-yl)tetrazol-5-yl]sulfanyl-N-(6-methyl-2-pyridinyl)acetamide (CID 1175668) is 2-[1-(1,3-benzodioxol-5-yl)tetrazol-5-yl]sulfanyl-N-(6-methyl-2-pyridinyl)acetamide.

What is the SMILES notation for 2-[1-(1,3-benzodioxol-5-yl)tetrazol-5-yl]sulfanyl-N-(6-methyl-2-pyridinyl)acetamide?

The canonical SMILES for 2-[1-(1,3-benzodioxol-5-yl)tetrazol-5-yl]sulfanyl-N-(6-methyl-2-pyridinyl)acetamide is Cc1cccc(NC(=O)CSc2nnnn2-c2ccc3c(c2)OCO3)n1.

What is the InChIKey of 2-[1-(1,3-benzodioxol-5-yl)tetrazol-5-yl]sulfanyl-N-(6-methyl-2-pyridinyl)acetamide?

The InChIKey is JERLQEDQERAFNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6O3S/c1-10-3-2-4-14(17-10)18-15(23)8-26-16-19-20-21-22(16)11-5-6-12-13(7-11)25-9-24-12/h2-7H,8-9H2,1H3,(H,17,18,23).

What are the key properties of 2-[1-(1,3-benzodioxol-5-yl)tetrazol-5-yl]sulfanyl-N-(6-methyl-2-pyridinyl)acetamide?

2-[1-(1,3-benzodioxol-5-yl)tetrazol-5-yl]sulfanyl-N-(6-methyl-2-pyridinyl)acetamide has a molecular weight of 370.39 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-(1,3-benzodioxol-5-yl)tetrazol-5-yl]sulfanyl-N-(6-methyl-2-pyridinyl)acetamide is sourced from PubChem (CID 1175668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).