2-(4-fluorophenyl)-5-[2-[2-(4-fluorophenyl)ethyl]-7-piperazin-1-yl-2H-[1,3]thiazolo[5,4-d]pyrimidin-1-yl]-7-piperazin-1-yl-[1,3]thiazolo[5,4-d]pyrimidine

C32H32F2N10S2 — CID 67133413

About 2-(4-fluorophenyl)-5-[2-[2-(4-fluorophenyl)ethyl]-7-piperazin-1-yl-2H-[1,3]thiazolo[5,4-d]pyrimidin-1-yl]-7-piperazin-1-yl-[1,3]thiazolo[5,4-d]pyrimidine

2-(4-fluorophenyl)-5-[2-[2-(4-fluorophenyl)ethyl]-7-piperazin-1-yl-2H-[1,3]thiazolo[5,4-d]pyrimidin-1-yl]-7-piperazin-1-yl-[1,3]thiazolo[5,4-d]pyrimidine (PubChem CID 67133413) has the molecular formula C32H32F2N10S2 and a molecular weight of 658.81 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-[2-[2-(4-fluorophenyl)ethyl]-7-piperazin-1-yl-2H-[1,3]thiazolo[5,4-d]pyrimidin-1-yl]-7-piperazin-1-yl-[1,3]thiazolo[5,4-d]pyrimidine.

Molecular Properties

• Compound Name: 2-(4-fluorophenyl)-5-[2-[2-(4-fluorophenyl)ethyl]-7-piperazin-1-yl-2H-[1,3]thiazolo[5,4-d]pyrimidin-1-yl]-7-piperazin-1-yl-[1,3]thiazolo[5,4-d]pyrimidine
• PubChem CID: 67133413
• Molecular Formula: C32H32F2N10S2
• Molecular Weight: 658.81 g/mol
• Exact Mass: 658.22
• IUPAC Name: 2-(4-fluorophenyl)-5-[2-[2-(4-fluorophenyl)ethyl]-7-piperazin-1-yl-2H-[1,3]thiazolo[5,4-d]pyrimidin-1-yl]-7-piperazin-1-yl-[1,3]thiazolo[5,4-d]pyrimidine
• SMILES: Fc1ccc(CCC2Sc3ncnc(N4CCNCC4)c3N2c2nc(N3CCNCC3)c3nc(-c4ccc(F)cc4)sc3n2)cc1
• InChI: InChI=1S/C32H32F2N10S2/c33-22-6-1-20(2-7-22)3-10-24-44(26-28(37-19-38-31(26)45-24)43-17-13-36-14-18-43)32-40-27(42-15-11-35-12-16-42)25-30(41-32)46-29(39-25)21-4-8-23(34)9-5-21/h1-2,4-9,19,24,35-36H,3,10-18H2
• InChIKey: FRVDGAXIHQFOCL-UHFFFAOYSA-N
• XLogP: 4.84
• TPSA: 98.23 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 7
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	658.81
LogP ≤ 5	4.84
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5-[2-[2-(4-fluorophenyl)ethyl]-7-piperazin-1-yl-2H-[1,3]thiazolo[5,4-d]pyrimidin-1-yl]-7-piperazin-1-yl-[1,3]thiazolo[5,4-d]pyrimidine?

The IUPAC name of 2-(4-fluorophenyl)-5-[2-[2-(4-fluorophenyl)ethyl]-7-piperazin-1-yl-2H-[1,3]thiazolo[5,4-d]pyrimidin-1-yl]-7-piperazin-1-yl-[1,3]thiazolo[5,4-d]pyrimidine (CID 67133413) is 2-(4-fluorophenyl)-5-[2-[2-(4-fluorophenyl)ethyl]-7-piperazin-1-yl-2H-[1,3]thiazolo[5,4-d]pyrimidin-1-yl]-7-piperazin-1-yl-[1,3]thiazolo[5,4-d]pyrimidine.

What is the SMILES notation for 2-(4-fluorophenyl)-5-[2-[2-(4-fluorophenyl)ethyl]-7-piperazin-1-yl-2H-[1,3]thiazolo[5,4-d]pyrimidin-1-yl]-7-piperazin-1-yl-[1,3]thiazolo[5,4-d]pyrimidine?

The canonical SMILES for 2-(4-fluorophenyl)-5-[2-[2-(4-fluorophenyl)ethyl]-7-piperazin-1-yl-2H-[1,3]thiazolo[5,4-d]pyrimidin-1-yl]-7-piperazin-1-yl-[1,3]thiazolo[5,4-d]pyrimidine is Fc1ccc(CCC2Sc3ncnc(N4CCNCC4)c3N2c2nc(N3CCNCC3)c3nc(-c4ccc(F)cc4)sc3n2)cc1.

What is the InChIKey of 2-(4-fluorophenyl)-5-[2-[2-(4-fluorophenyl)ethyl]-7-piperazin-1-yl-2H-[1,3]thiazolo[5,4-d]pyrimidin-1-yl]-7-piperazin-1-yl-[1,3]thiazolo[5,4-d]pyrimidine?

The InChIKey is FRVDGAXIHQFOCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32F2N10S2/c33-22-6-1-20(2-7-22)3-10-24-44(26-28(37-19-38-31(26)45-24)43-17-13-36-14-18-43)32-40-27(42-15-11-35-12-16-42)25-30(41-32)46-29(39-25)21-4-8-23(34)9-5-21/h1-2,4-9,19,24,35-36H,3,10-18H2.

What are the key properties of 2-(4-fluorophenyl)-5-[2-[2-(4-fluorophenyl)ethyl]-7-piperazin-1-yl-2H-[1,3]thiazolo[5,4-d]pyrimidin-1-yl]-7-piperazin-1-yl-[1,3]thiazolo[5,4-d]pyrimidine?

2-(4-fluorophenyl)-5-[2-[2-(4-fluorophenyl)ethyl]-7-piperazin-1-yl-2H-[1,3]thiazolo[5,4-d]pyrimidin-1-yl]-7-piperazin-1-yl-[1,3]thiazolo[5,4-d]pyrimidine has a molecular weight of 658.81 g/mol, XLogP of 4.84, 7 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-fluorophenyl)-5-[2-[2-(4-fluorophenyl)ethyl]-7-piperazin-1-yl-2H-[1,3]thiazolo[5,4-d]pyrimidin-1-yl]-7-piperazin-1-yl-[1,3]thiazolo[5,4-d]pyrimidine is sourced from PubChem (CID 67133413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).