4-[5-amino-2-[(4-fluorophenyl)methyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]-N-(3-methylphenyl)piperazine-1-carboxamide;4-[5-amino-2-(4-fluorophenyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]-N-(3-methylphenyl)piperazine-1-carboxamide

C47H46F2N14O2S2 — CID 87282466

About 4-[5-amino-2-[(4-fluorophenyl)methyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]-N-(3-methylphenyl)piperazine-1-carboxamide;4-[5-amino-2-(4-fluorophenyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]-N-(3-methylphenyl)piperazine-1-carboxamide

4-[5-amino-2-[(4-fluorophenyl)methyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]-N-(3-methylphenyl)piperazine-1-carboxamide;4-[5-amino-2-(4-fluorophenyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]-N-(3-methylphenyl)piperazine-1-carboxamide (PubChem CID 87282466) has the molecular formula C47H46F2N14O2S2 and a molecular weight of 941.11 g/mol. Its IUPAC name is 4-[5-amino-2-[(4-fluorophenyl)methyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]-N-(3-methylphenyl)piperazine-1-carboxamide;4-[5-amino-2-(4-fluorophenyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]-N-(3-methylphenyl)piperazine-1-carboxamide.

Molecular Properties

• Compound Name: 4-[5-amino-2-[(4-fluorophenyl)methyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]-N-(3-methylphenyl)piperazine-1-carboxamide;4-[5-amino-2-(4-fluorophenyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]-N-(3-methylphenyl)piperazine-1-carboxamide
• PubChem CID: 87282466
• Molecular Formula: C47H46F2N14O2S2
• Molecular Weight: 941.11 g/mol
• Exact Mass: 940.33
• IUPAC Name: 4-[5-amino-2-[(4-fluorophenyl)methyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]-N-(3-methylphenyl)piperazine-1-carboxamide;4-[5-amino-2-(4-fluorophenyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]-N-(3-methylphenyl)piperazine-1-carboxamide
• SMILES: Cc1cccc(NC(=O)N2CCN(c3nc(N)nc4sc(-c5ccc(F)cc5)nc34)CC2)c1.Cc1cccc(NC(=O)N2CCN(c3nc(N)nc4sc(Cc5ccc(F)cc5)nc34)CC2)c1
• InChI: InChI=1S/C24H24FN7OS.C23H22FN7OS/c1-15-3-2-4-18(13-15)27-24(33)32-11-9-31(10-12-32)21-20-22(30-23(26)29-21)34-19(28-20)14-16-5-7-17(25)8-6-16;1-14-3-2-4-17(13-14)26-23(32)31-11-9-30(10-12-31)19-18-21(29-22(25)28-19)33-20(27-18)15-5-7-16(24)8-6-15/h2-8,13H,9-12,14H2,1H3,(H,27,33)(H2,26,29,30);2-8,13H,9-12H2,1H3,(H,26,32)(H2,25,28,29)
• InChIKey: BXTFESNKJLFVJB-UHFFFAOYSA-N
• XLogP: 8.20
• TPSA: 200.54 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 14
• Rotatable Bonds: 7
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	941.11
LogP ≤ 5	8.20
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 4-[5-amino-2-[(4-fluorophenyl)methyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]-N-(3-methylphenyl)piperazine-1-carboxamide;4-[5-amino-2-(4-fluorophenyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]-N-(3-methylphenyl)piperazine-1-carboxamide?

The IUPAC name of 4-[5-amino-2-[(4-fluorophenyl)methyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]-N-(3-methylphenyl)piperazine-1-carboxamide;4-[5-amino-2-(4-fluorophenyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]-N-(3-methylphenyl)piperazine-1-carboxamide (CID 87282466) is 4-[5-amino-2-[(4-fluorophenyl)methyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]-N-(3-methylphenyl)piperazine-1-carboxamide;4-[5-amino-2-(4-fluorophenyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]-N-(3-methylphenyl)piperazine-1-carboxamide.

What is the SMILES notation for 4-[5-amino-2-[(4-fluorophenyl)methyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]-N-(3-methylphenyl)piperazine-1-carboxamide;4-[5-amino-2-(4-fluorophenyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]-N-(3-methylphenyl)piperazine-1-carboxamide?

The canonical SMILES for 4-[5-amino-2-[(4-fluorophenyl)methyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]-N-(3-methylphenyl)piperazine-1-carboxamide;4-[5-amino-2-(4-fluorophenyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]-N-(3-methylphenyl)piperazine-1-carboxamide is Cc1cccc(NC(=O)N2CCN(c3nc(N)nc4sc(-c5ccc(F)cc5)nc34)CC2)c1.Cc1cccc(NC(=O)N2CCN(c3nc(N)nc4sc(Cc5ccc(F)cc5)nc34)CC2)c1.

What is the InChIKey of 4-[5-amino-2-[(4-fluorophenyl)methyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]-N-(3-methylphenyl)piperazine-1-carboxamide;4-[5-amino-2-(4-fluorophenyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]-N-(3-methylphenyl)piperazine-1-carboxamide?

The InChIKey is BXTFESNKJLFVJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN7OS.C23H22FN7OS/c1-15-3-2-4-18(13-15)27-24(33)32-11-9-31(10-12-32)21-20-22(30-23(26)29-21)34-19(28-20)14-16-5-7-17(25)8-6-16;1-14-3-2-4-17(13-14)26-23(32)31-11-9-30(10-12-31)19-18-21(29-22(25)28-19)33-20(27-18)15-5-7-16(24)8-6-15/h2-8,13H,9-12,14H2,1H3,(H,27,33)(H2,26,29,30);2-8,13H,9-12H2,1H3,(H,26,32)(H2,25,28,29).

What are the key properties of 4-[5-amino-2-[(4-fluorophenyl)methyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]-N-(3-methylphenyl)piperazine-1-carboxamide;4-[5-amino-2-(4-fluorophenyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]-N-(3-methylphenyl)piperazine-1-carboxamide?

4-[5-amino-2-[(4-fluorophenyl)methyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]-N-(3-methylphenyl)piperazine-1-carboxamide;4-[5-amino-2-(4-fluorophenyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]-N-(3-methylphenyl)piperazine-1-carboxamide has a molecular weight of 941.11 g/mol, XLogP of 8.20, 7 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[5-amino-2-[(4-fluorophenyl)methyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]-N-(3-methylphenyl)piperazine-1-carboxamide;4-[5-amino-2-(4-fluorophenyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]-N-(3-methylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 87282466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).