N-[5-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide

C17H20N8O3S2 — CID 122338917

About N-[5-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide

N-[5-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide (PubChem CID 122338917) has the molecular formula C17H20N8O3S2 and a molecular weight of 448.53 g/mol. Its IUPAC name is N-[5-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide.

Molecular Properties

• Compound Name: N-[5-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide
• PubChem CID: 122338917
• Molecular Formula: C17H20N8O3S2
• Molecular Weight: 448.53 g/mol
• Exact Mass: 448.11
• IUPAC Name: N-[5-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide
• SMILES: CC(=O)Nc1ncc(S(=O)(=O)N2CCN(c3cc(-n4ccnc4C)ncn3)CC2)s1
• InChI: InChI=1S/C17H20N8O3S2/c1-12-18-3-4-25(12)15-9-14(20-11-21-15)23-5-7-24(8-6-23)30(27,28)16-10-19-17(29-16)22-13(2)26/h3-4,9-11H,5-8H2,1-2H3,(H,19,22,26)
• InChIKey: UNVKEHDNDBJDFY-UHFFFAOYSA-N
• XLogP: 0.90
• TPSA: 126.21 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	448.53
LogP ≤ 5	0.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide?

The IUPAC name of N-[5-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide (CID 122338917) is N-[5-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide.

What is the SMILES notation for N-[5-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide?

The canonical SMILES for N-[5-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1ncc(S(=O)(=O)N2CCN(c3cc(-n4ccnc4C)ncn3)CC2)s1.

What is the InChIKey of N-[5-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide?

The InChIKey is UNVKEHDNDBJDFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N8O3S2/c1-12-18-3-4-25(12)15-9-14(20-11-21-15)23-5-7-24(8-6-23)30(27,28)16-10-19-17(29-16)22-13(2)26/h3-4,9-11H,5-8H2,1-2H3,(H,19,22,26).

What are the key properties of N-[5-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide?

N-[5-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide has a molecular weight of 448.53 g/mol, XLogP of 0.90, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 122338917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).