N-[4-(2-aminopyrimidin-4-yl)-1,3-thiazol-2-yl]-2-(2-fluorophenyl)acetamide;N-[4-[2-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]-1,3-thiazol-2-yl]-2-(2-fluorophenyl)acetamide;2-(2-fluorophenyl)-N-[4-[2-[2-(methylamino)ethylamino]pyrimidin-4-yl]-1,3-thiazol-2-yl]acetamide;2-(2-fluorophenyl)-N-[4-[2-(methylamino)pyrimidin-4-yl]-1,3-thiazol-2-yl]acetamide;2-(3-methoxyphenyl)-N-[4-(2-methylsulfanylpyrimidin-4-yl)-1,3-thiazol-2-yl]acetamide

C85H82F4N26O6S6 — CID 157124885

About N-[4-(2-aminopyrimidin-4-yl)-1,3-thiazol-2-yl]-2-(2-fluorophenyl)acetamide;N-[4-[2-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]-1,3-thiazol-2-yl]-2-(2-fluorophenyl)acetamide;2-(2-fluorophenyl)-N-[4-[2-[2-(methylamino)ethylamino]pyrimidin-4-yl]-1,3-thiazol-2-yl]acetamide;2-(2-fluorophenyl)-N-[4-[2-(methylamino)pyrimidin-4-yl]-1,3-thiazol-2-yl]acetamide;2-(3-methoxyphenyl)-N-[4-(2-methylsulfanylpyrimidin-4-yl)-1,3-thiazol-2-yl]acetamide

N-[4-(2-aminopyrimidin-4-yl)-1,3-thiazol-2-yl]-2-(2-fluorophenyl)acetamide;N-[4-[2-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]-1,3-thiazol-2-yl]-2-(2-fluorophenyl)acetamide;2-(2-fluorophenyl)-N-[4-[2-[2-(methylamino)ethylamino]pyrimidin-4-yl]-1,3-thiazol-2-yl]acetamide;2-(2-fluorophenyl)-N-[4-[2-(methylamino)pyrimidin-4-yl]-1,3-thiazol-2-yl]acetamide;2-(3-methoxyphenyl)-N-[4-(2-methylsulfanylpyrimidin-4-yl)-1,3-thiazol-2-yl]acetamide (PubChem CID 157124885) has the molecular formula C85H82F4N26O6S6 and a molecular weight of 1832.16 g/mol. Its IUPAC name is N-[4-(2-aminopyrimidin-4-yl)-1,3-thiazol-2-yl]-2-(2-fluorophenyl)acetamide;N-[4-[2-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]-1,3-thiazol-2-yl]-2-(2-fluorophenyl)acetamide;2-(2-fluorophenyl)-N-[4-[2-[2-(methylamino)ethylamino]pyrimidin-4-yl]-1,3-thiazol-2-yl]acetamide;2-(2-fluorophenyl)-N-[4-[2-(methylamino)pyrimidin-4-yl]-1,3-thiazol-2-yl]acetamide;2-(3-methoxyphenyl)-N-[4-(2-methylsulfanylpyrimidin-4-yl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

• Compound Name: N-[4-(2-aminopyrimidin-4-yl)-1,3-thiazol-2-yl]-2-(2-fluorophenyl)acetamide;N-[4-[2-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]-1,3-thiazol-2-yl]-2-(2-fluorophenyl)acetamide;2-(2-fluorophenyl)-N-[4-[2-[2-(methylamino)ethylamino]pyrimidin-4-yl]-1,3-thiazol-2-yl]acetamide;2-(2-fluorophenyl)-N-[4-[2-(methylamino)pyrimidin-4-yl]-1,3-thiazol-2-yl]acetamide;2-(3-methoxyphenyl)-N-[4-(2-methylsulfanylpyrimidin-4-yl)-1,3-thiazol-2-yl]acetamide
• PubChem CID: 157124885
• Molecular Formula: C85H82F4N26O6S6
• Molecular Weight: 1832.16 g/mol
• Exact Mass: 1830.52
• IUPAC Name: N-[4-(2-aminopyrimidin-4-yl)-1,3-thiazol-2-yl]-2-(2-fluorophenyl)acetamide;N-[4-[2-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]-1,3-thiazol-2-yl]-2-(2-fluorophenyl)acetamide;2-(2-fluorophenyl)-N-[4-[2-[2-(methylamino)ethylamino]pyrimidin-4-yl]-1,3-thiazol-2-yl]acetamide;2-(2-fluorophenyl)-N-[4-[2-(methylamino)pyrimidin-4-yl]-1,3-thiazol-2-yl]acetamide;2-(3-methoxyphenyl)-N-[4-(2-methylsulfanylpyrimidin-4-yl)-1,3-thiazol-2-yl]acetamide
• SMILES: CN(C)CCNc1nccc(-c2csc(NC(=O)Cc3ccccc3F)n2)n1.CNCCNc1nccc(-c2csc(NC(=O)Cc3ccccc3F)n2)n1.CNc1nccc(-c2csc(NC(=O)Cc3ccccc3F)n2)n1.COc1cccc(CC(=O)Nc2nc(-c3ccnc(SC)n3)cs2)c1.Nc1nccc(-c2csc(NC(=O)Cc3ccccc3F)n2)n1
• InChI: InChI=1S/C19H21FN6OS.C18H19FN6OS.C17H16N4O2S2.C16H14FN5OS.C15H12FN5OS/c1-26(2)10-9-22-18-21-8-7-15(23-18)16-12-28-19(24-16)25-17(27)11-13-5-3-4-6-14(13)20;1-20-8-9-22-17-21-7-6-14(23-17)15-11-27-18(24-15)25-16(26)10-12-4-2-3-5-13(12)19;1-23-12-5-3-4-11(8-12)9-15(22)21-17-20-14(10-25-17)13-6-7-18-16(19-13)24-2;1-18-15-19-7-6-12(20-15)13-9-24-16(21-13)22-14(23)8-10-4-2-3-5-11(10)17;16-10-4-2-1-3-9(10)7-13(22)21-15-20-12(8-23-15)11-5-6-18-14(17)19-11/h3-8,12H,9-11H2,1-2H3,(H,21,22,23)(H,24,25,27);2-7,11,20H,8-10H2,1H3,(H,21,22,23)(H,24,25,26);3-8,10H,9H2,1-2H3,(H,20,21,22);2-7,9H,8H2,1H3,(H,18,19,20)(H,21,22,23);1-6,8H,7H2,(H2,17,18,19)(H,20,21,22)
• InChIKey: AIJVPCKVEHLXHL-UHFFFAOYSA-N
• XLogP: 14.42
• TPSA: 425.46 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 33
• Rotatable Bonds: 31
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1832.16
LogP ≤ 5	14.42
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-aminopyrimidin-4-yl)-1,3-thiazol-2-yl]-2-(2-fluorophenyl)acetamide;N-[4-[2-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]-1,3-thiazol-2-yl]-2-(2-fluorophenyl)acetamide;2-(2-fluorophenyl)-N-[4-[2-[2-(methylamino)ethylamino]pyrimidin-4-yl]-1,3-thiazol-2-yl]acetamide;2-(2-fluorophenyl)-N-[4-[2-(methylamino)pyrimidin-4-yl]-1,3-thiazol-2-yl]acetamide;2-(3-methoxyphenyl)-N-[4-(2-methylsulfanylpyrimidin-4-yl)-1,3-thiazol-2-yl]acetamide?

The IUPAC name of N-[4-(2-aminopyrimidin-4-yl)-1,3-thiazol-2-yl]-2-(2-fluorophenyl)acetamide;N-[4-[2-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]-1,3-thiazol-2-yl]-2-(2-fluorophenyl)acetamide;2-(2-fluorophenyl)-N-[4-[2-[2-(methylamino)ethylamino]pyrimidin-4-yl]-1,3-thiazol-2-yl]acetamide;2-(2-fluorophenyl)-N-[4-[2-(methylamino)pyrimidin-4-yl]-1,3-thiazol-2-yl]acetamide;2-(3-methoxyphenyl)-N-[4-(2-methylsulfanylpyrimidin-4-yl)-1,3-thiazol-2-yl]acetamide (CID 157124885) is N-[4-(2-aminopyrimidin-4-yl)-1,3-thiazol-2-yl]-2-(2-fluorophenyl)acetamide;N-[4-[2-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]-1,3-thiazol-2-yl]-2-(2-fluorophenyl)acetamide;2-(2-fluorophenyl)-N-[4-[2-[2-(methylamino)ethylamino]pyrimidin-4-yl]-1,3-thiazol-2-yl]acetamide;2-(2-fluorophenyl)-N-[4-[2-(methylamino)pyrimidin-4-yl]-1,3-thiazol-2-yl]acetamide;2-(3-methoxyphenyl)-N-[4-(2-methylsulfanylpyrimidin-4-yl)-1,3-thiazol-2-yl]acetamide.

What is the SMILES notation for N-[4-(2-aminopyrimidin-4-yl)-1,3-thiazol-2-yl]-2-(2-fluorophenyl)acetamide;N-[4-[2-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]-1,3-thiazol-2-yl]-2-(2-fluorophenyl)acetamide;2-(2-fluorophenyl)-N-[4-[2-[2-(methylamino)ethylamino]pyrimidin-4-yl]-1,3-thiazol-2-yl]acetamide;2-(2-fluorophenyl)-N-[4-[2-(methylamino)pyrimidin-4-yl]-1,3-thiazol-2-yl]acetamide;2-(3-methoxyphenyl)-N-[4-(2-methylsulfanylpyrimidin-4-yl)-1,3-thiazol-2-yl]acetamide?

The canonical SMILES for N-[4-(2-aminopyrimidin-4-yl)-1,3-thiazol-2-yl]-2-(2-fluorophenyl)acetamide;N-[4-[2-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]-1,3-thiazol-2-yl]-2-(2-fluorophenyl)acetamide;2-(2-fluorophenyl)-N-[4-[2-[2-(methylamino)ethylamino]pyrimidin-4-yl]-1,3-thiazol-2-yl]acetamide;2-(2-fluorophenyl)-N-[4-[2-(methylamino)pyrimidin-4-yl]-1,3-thiazol-2-yl]acetamide;2-(3-methoxyphenyl)-N-[4-(2-methylsulfanylpyrimidin-4-yl)-1,3-thiazol-2-yl]acetamide is CN(C)CCNc1nccc(-c2csc(NC(=O)Cc3ccccc3F)n2)n1.CNCCNc1nccc(-c2csc(NC(=O)Cc3ccccc3F)n2)n1.CNc1nccc(-c2csc(NC(=O)Cc3ccccc3F)n2)n1.COc1cccc(CC(=O)Nc2nc(-c3ccnc(SC)n3)cs2)c1.Nc1nccc(-c2csc(NC(=O)Cc3ccccc3F)n2)n1.

What is the InChIKey of N-[4-(2-aminopyrimidin-4-yl)-1,3-thiazol-2-yl]-2-(2-fluorophenyl)acetamide;N-[4-[2-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]-1,3-thiazol-2-yl]-2-(2-fluorophenyl)acetamide;2-(2-fluorophenyl)-N-[4-[2-[2-(methylamino)ethylamino]pyrimidin-4-yl]-1,3-thiazol-2-yl]acetamide;2-(2-fluorophenyl)-N-[4-[2-(methylamino)pyrimidin-4-yl]-1,3-thiazol-2-yl]acetamide;2-(3-methoxyphenyl)-N-[4-(2-methylsulfanylpyrimidin-4-yl)-1,3-thiazol-2-yl]acetamide?

The InChIKey is AIJVPCKVEHLXHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN6OS.C18H19FN6OS.C17H16N4O2S2.C16H14FN5OS.C15H12FN5OS/c1-26(2)10-9-22-18-21-8-7-15(23-18)16-12-28-19(24-16)25-17(27)11-13-5-3-4-6-14(13)20;1-20-8-9-22-17-21-7-6-14(23-17)15-11-27-18(24-15)25-16(26)10-12-4-2-3-5-13(12)19;1-23-12-5-3-4-11(8-12)9-15(22)21-17-20-14(10-25-17)13-6-7-18-16(19-13)24-2;1-18-15-19-7-6-12(20-15)13-9-24-16(21-13)22-14(23)8-10-4-2-3-5-11(10)17;16-10-4-2-1-3-9(10)7-13(22)21-15-20-12(8-23-15)11-5-6-18-14(17)19-11/h3-8,12H,9-11H2,1-2H3,(H,21,22,23)(H,24,25,27);2-7,11,20H,8-10H2,1H3,(H,21,22,23)(H,24,25,26);3-8,10H,9H2,1-2H3,(H,20,21,22);2-7,9H,8H2,1H3,(H,18,19,20)(H,21,22,23);1-6,8H,7H2,(H2,17,18,19)(H,20,21,22).

What are the key properties of N-[4-(2-aminopyrimidin-4-yl)-1,3-thiazol-2-yl]-2-(2-fluorophenyl)acetamide;N-[4-[2-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]-1,3-thiazol-2-yl]-2-(2-fluorophenyl)acetamide;2-(2-fluorophenyl)-N-[4-[2-[2-(methylamino)ethylamino]pyrimidin-4-yl]-1,3-thiazol-2-yl]acetamide;2-(2-fluorophenyl)-N-[4-[2-(methylamino)pyrimidin-4-yl]-1,3-thiazol-2-yl]acetamide;2-(3-methoxyphenyl)-N-[4-(2-methylsulfanylpyrimidin-4-yl)-1,3-thiazol-2-yl]acetamide?

N-[4-(2-aminopyrimidin-4-yl)-1,3-thiazol-2-yl]-2-(2-fluorophenyl)acetamide;N-[4-[2-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]-1,3-thiazol-2-yl]-2-(2-fluorophenyl)acetamide;2-(2-fluorophenyl)-N-[4-[2-[2-(methylamino)ethylamino]pyrimidin-4-yl]-1,3-thiazol-2-yl]acetamide;2-(2-fluorophenyl)-N-[4-[2-(methylamino)pyrimidin-4-yl]-1,3-thiazol-2-yl]acetamide;2-(3-methoxyphenyl)-N-[4-(2-methylsulfanylpyrimidin-4-yl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 1832.16 g/mol, XLogP of 14.42, 31 rotatable bonds, 10 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(2-aminopyrimidin-4-yl)-1,3-thiazol-2-yl]-2-(2-fluorophenyl)acetamide;N-[4-[2-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]-1,3-thiazol-2-yl]-2-(2-fluorophenyl)acetamide;2-(2-fluorophenyl)-N-[4-[2-[2-(methylamino)ethylamino]pyrimidin-4-yl]-1,3-thiazol-2-yl]acetamide;2-(2-fluorophenyl)-N-[4-[2-(methylamino)pyrimidin-4-yl]-1,3-thiazol-2-yl]acetamide;2-(3-methoxyphenyl)-N-[4-(2-methylsulfanylpyrimidin-4-yl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 157124885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).