2-(6,7-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]acetamide

C24H27N7O2S — CID 90545422

About 2-(6,7-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]acetamide

2-(6,7-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]acetamide (PubChem CID 90545422) has the molecular formula C24H27N7O2S and a molecular weight of 477.59 g/mol. Its IUPAC name is 2-(6,7-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]acetamide.

Molecular Properties

• Compound Name: 2-(6,7-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]acetamide
• PubChem CID: 90545422
• Molecular Formula: C24H27N7O2S
• Molecular Weight: 477.59 g/mol
• Exact Mass: 477.19
• IUPAC Name: 2-(6,7-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]acetamide
• SMILES: Cc1nc2n(c(=O)c1C)C(CC(=O)Nc1cc(N3CCN(c4ccccc4)CC3)ncn1)CS2
• InChI: InChI=1S/C24H27N7O2S/c1-16-17(2)27-24-31(23(16)33)19(14-34-24)12-22(32)28-20-13-21(26-15-25-20)30-10-8-29(9-11-30)18-6-4-3-5-7-18/h3-7,13,15,19H,8-12,14H2,1-2H3,(H,25,26,28,32)
• InChIKey: CZGIGBPIQZORFP-UHFFFAOYSA-N
• XLogP: 2.65
• TPSA: 96.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	477.59
LogP ≤ 5	2.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]acetamide?

The IUPAC name of 2-(6,7-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]acetamide (CID 90545422) is 2-(6,7-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]acetamide.

What is the SMILES notation for 2-(6,7-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]acetamide?

The canonical SMILES for 2-(6,7-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]acetamide is Cc1nc2n(c(=O)c1C)C(CC(=O)Nc1cc(N3CCN(c4ccccc4)CC3)ncn1)CS2.

What is the InChIKey of 2-(6,7-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]acetamide?

The InChIKey is CZGIGBPIQZORFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O2S/c1-16-17(2)27-24-31(23(16)33)19(14-34-24)12-22(32)28-20-13-21(26-15-25-20)30-10-8-29(9-11-30)18-6-4-3-5-7-18/h3-7,13,15,19H,8-12,14H2,1-2H3,(H,25,26,28,32).

What are the key properties of 2-(6,7-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]acetamide?

2-(6,7-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]acetamide has a molecular weight of 477.59 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(6,7-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]acetamide is sourced from PubChem (CID 90545422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).