1-[4-(5-aminotetrazol-1-yl)piperidin-1-yl]-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethanone

C15H17N9OS — CID 166335855

About 1-[4-(5-aminotetrazol-1-yl)piperidin-1-yl]-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethanone

1-[4-(5-aminotetrazol-1-yl)piperidin-1-yl]-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethanone (PubChem CID 166335855) has the molecular formula C15H17N9OS and a molecular weight of 371.43 g/mol. Its IUPAC name is 1-[4-(5-aminotetrazol-1-yl)piperidin-1-yl]-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethanone.

Molecular Properties

• Compound Name: 1-[4-(5-aminotetrazol-1-yl)piperidin-1-yl]-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethanone
• PubChem CID: 166335855
• Molecular Formula: C15H17N9OS
• Molecular Weight: 371.43 g/mol
• Exact Mass: 371.13
• IUPAC Name: 1-[4-(5-aminotetrazol-1-yl)piperidin-1-yl]-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethanone
• SMILES: Nc1nnnn1C1CCN(C(=O)Cc2csc(-c3ncccn3)n2)CC1
• InChI: InChI=1S/C15H17N9OS/c16-15-20-21-22-24(15)11-2-6-23(7-3-11)12(25)8-10-9-26-14(19-10)13-17-4-1-5-18-13/h1,4-5,9,11H,2-3,6-8H2,(H2,16,20,22)
• InChIKey: XEECLHZWTFNSSL-UHFFFAOYSA-N
• XLogP: 0.57
• TPSA: 128.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	371.43
LogP ≤ 5	0.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-aminotetrazol-1-yl)piperidin-1-yl]-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethanone?

The IUPAC name of 1-[4-(5-aminotetrazol-1-yl)piperidin-1-yl]-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethanone (CID 166335855) is 1-[4-(5-aminotetrazol-1-yl)piperidin-1-yl]-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethanone.

What is the SMILES notation for 1-[4-(5-aminotetrazol-1-yl)piperidin-1-yl]-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethanone?

The canonical SMILES for 1-[4-(5-aminotetrazol-1-yl)piperidin-1-yl]-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethanone is Nc1nnnn1C1CCN(C(=O)Cc2csc(-c3ncccn3)n2)CC1.

What is the InChIKey of 1-[4-(5-aminotetrazol-1-yl)piperidin-1-yl]-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethanone?

The InChIKey is XEECLHZWTFNSSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N9OS/c16-15-20-21-22-24(15)11-2-6-23(7-3-11)12(25)8-10-9-26-14(19-10)13-17-4-1-5-18-13/h1,4-5,9,11H,2-3,6-8H2,(H2,16,20,22).

What are the key properties of 1-[4-(5-aminotetrazol-1-yl)piperidin-1-yl]-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethanone?

1-[4-(5-aminotetrazol-1-yl)piperidin-1-yl]-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethanone has a molecular weight of 371.43 g/mol, XLogP of 0.57, 4 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(5-aminotetrazol-1-yl)piperidin-1-yl]-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethanone is sourced from PubChem (CID 166335855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).