N-[4-[6-(4-propan-2-ylpiperazin-1-yl)pyrimidin-4-yl]oxy-1,3-benzothiazol-2-yl]acetamide

C20H24N6O2S — CID 16748469

About N-[4-[6-(4-propan-2-ylpiperazin-1-yl)pyrimidin-4-yl]oxy-1,3-benzothiazol-2-yl]acetamide

N-[4-[6-(4-propan-2-ylpiperazin-1-yl)pyrimidin-4-yl]oxy-1,3-benzothiazol-2-yl]acetamide (PubChem CID 16748469) has the molecular formula C20H24N6O2S and a molecular weight of 412.52 g/mol. Its IUPAC name is N-[4-[6-(4-propan-2-ylpiperazin-1-yl)pyrimidin-4-yl]oxy-1,3-benzothiazol-2-yl]acetamide.

Molecular Properties

• Compound Name: N-[4-[6-(4-propan-2-ylpiperazin-1-yl)pyrimidin-4-yl]oxy-1,3-benzothiazol-2-yl]acetamide
• PubChem CID: 16748469
• Molecular Formula: C20H24N6O2S
• Molecular Weight: 412.52 g/mol
• Exact Mass: 412.17
• IUPAC Name: N-[4-[6-(4-propan-2-ylpiperazin-1-yl)pyrimidin-4-yl]oxy-1,3-benzothiazol-2-yl]acetamide
• SMILES: CC(=O)Nc1nc2c(Oc3cc(N4CCN(C(C)C)CC4)ncn3)cccc2s1
• InChI: InChI=1S/C20H24N6O2S/c1-13(2)25-7-9-26(10-8-25)17-11-18(22-12-21-17)28-15-5-4-6-16-19(15)24-20(29-16)23-14(3)27/h4-6,11-13H,7-10H2,1-3H3,(H,23,24,27)
• InChIKey: YTCGMVBBPLRWSC-UHFFFAOYSA-N
• XLogP: 3.37
• TPSA: 83.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	412.52
LogP ≤ 5	3.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-(4-propan-2-ylpiperazin-1-yl)pyrimidin-4-yl]oxy-1,3-benzothiazol-2-yl]acetamide?

The IUPAC name of N-[4-[6-(4-propan-2-ylpiperazin-1-yl)pyrimidin-4-yl]oxy-1,3-benzothiazol-2-yl]acetamide (CID 16748469) is N-[4-[6-(4-propan-2-ylpiperazin-1-yl)pyrimidin-4-yl]oxy-1,3-benzothiazol-2-yl]acetamide.

What is the SMILES notation for N-[4-[6-(4-propan-2-ylpiperazin-1-yl)pyrimidin-4-yl]oxy-1,3-benzothiazol-2-yl]acetamide?

The canonical SMILES for N-[4-[6-(4-propan-2-ylpiperazin-1-yl)pyrimidin-4-yl]oxy-1,3-benzothiazol-2-yl]acetamide is CC(=O)Nc1nc2c(Oc3cc(N4CCN(C(C)C)CC4)ncn3)cccc2s1.

What is the InChIKey of N-[4-[6-(4-propan-2-ylpiperazin-1-yl)pyrimidin-4-yl]oxy-1,3-benzothiazol-2-yl]acetamide?

The InChIKey is YTCGMVBBPLRWSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O2S/c1-13(2)25-7-9-26(10-8-25)17-11-18(22-12-21-17)28-15-5-4-6-16-19(15)24-20(29-16)23-14(3)27/h4-6,11-13H,7-10H2,1-3H3,(H,23,24,27).

What are the key properties of N-[4-[6-(4-propan-2-ylpiperazin-1-yl)pyrimidin-4-yl]oxy-1,3-benzothiazol-2-yl]acetamide?

N-[4-[6-(4-propan-2-ylpiperazin-1-yl)pyrimidin-4-yl]oxy-1,3-benzothiazol-2-yl]acetamide has a molecular weight of 412.52 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[6-(4-propan-2-ylpiperazin-1-yl)pyrimidin-4-yl]oxy-1,3-benzothiazol-2-yl]acetamide is sourced from PubChem (CID 16748469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).