[2-amino-5-(1-phenylethylamino)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-pyrrolidin-1-ylmethanone;1-[5-[1-(3-fluorophenyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-3-pyridin-3-ylpropan-1-one;1-[5-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-4-(4-methylphenyl)butan-1-one;1-[5-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-4-(1-methylpiperidin-4-yl)butan-1-one;(3-hydroxypyrrolidin-1-yl)-[2-methyl-5-(1-phenylethylamino)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]methanone;(3-hydroxypyrrolidin-1-yl)-[2-methyl-5-(1-pyridin-2-ylethylamino)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]methanone

C124H134F3N33O8S6 — CID 157262879

About [2-amino-5-(1-phenylethylamino)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-pyrrolidin-1-ylmethanone;1-[5-[1-(3-fluorophenyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-3-pyridin-3-ylpropan-1-one;1-[5-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-4-(4-methylphenyl)butan-1-one;1-[5-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-4-(1-methylpiperidin-4-yl)butan-1-one;(3-hydroxypyrrolidin-1-yl)-[2-methyl-5-(1-phenylethylamino)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]methanone;(3-hydroxypyrrolidin-1-yl)-[2-methyl-5-(1-pyridin-2-ylethylamino)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]methanone

[2-amino-5-(1-phenylethylamino)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-pyrrolidin-1-ylmethanone;1-[5-[1-(3-fluorophenyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-3-pyridin-3-ylpropan-1-one;1-[5-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-4-(4-methylphenyl)butan-1-one;1-[5-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-4-(1-methylpiperidin-4-yl)butan-1-one;(3-hydroxypyrrolidin-1-yl)-[2-methyl-5-(1-phenylethylamino)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]methanone;(3-hydroxypyrrolidin-1-yl)-[2-methyl-5-(1-pyridin-2-ylethylamino)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]methanone (PubChem CID 157262879) has the molecular formula C124H134F3N33O8S6 and a molecular weight of 2464.05 g/mol. Its IUPAC name is [2-amino-5-(1-phenylethylamino)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-pyrrolidin-1-ylmethanone;1-[5-[1-(3-fluorophenyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-3-pyridin-3-ylpropan-1-one;1-[5-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-4-(4-methylphenyl)butan-1-one;1-[5-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-4-(1-methylpiperidin-4-yl)butan-1-one;(3-hydroxypyrrolidin-1-yl)-[2-methyl-5-(1-phenylethylamino)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]methanone;(3-hydroxypyrrolidin-1-yl)-[2-methyl-5-(1-pyridin-2-ylethylamino)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]methanone.

Molecular Properties

• Compound Name: [2-amino-5-(1-phenylethylamino)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-pyrrolidin-1-ylmethanone;1-[5-[1-(3-fluorophenyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-3-pyridin-3-ylpropan-1-one;1-[5-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-4-(4-methylphenyl)butan-1-one;1-[5-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-4-(1-methylpiperidin-4-yl)butan-1-one;(3-hydroxypyrrolidin-1-yl)-[2-methyl-5-(1-phenylethylamino)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]methanone;(3-hydroxypyrrolidin-1-yl)-[2-methyl-5-(1-pyridin-2-ylethylamino)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]methanone
• PubChem CID: 157262879
• Molecular Formula: C124H134F3N33O8S6
• Molecular Weight: 2464.05 g/mol
• Exact Mass: 2461.94
• IUPAC Name: [2-amino-5-(1-phenylethylamino)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-pyrrolidin-1-ylmethanone;1-[5-[1-(3-fluorophenyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-3-pyridin-3-ylpropan-1-one;1-[5-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-4-(4-methylphenyl)butan-1-one;1-[5-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-4-(1-methylpiperidin-4-yl)butan-1-one;(3-hydroxypyrrolidin-1-yl)-[2-methyl-5-(1-phenylethylamino)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]methanone;(3-hydroxypyrrolidin-1-yl)-[2-methyl-5-(1-pyridin-2-ylethylamino)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]methanone
• SMILES: CC(Nc1nc(C(=O)N2CCCC2)c2sc(N)nc2n1)c1ccccc1.Cc1ccc(CCCC(=O)c2nc(NC(C)c3cncc(F)c3)nc3nc(C)sc23)cc1.Cc1nc2nc(NC(C)c3cccc(F)c3)nc(C(=O)CCc3cccnc3)c2s1.Cc1nc2nc(NC(C)c3ccccc3)nc(C(=O)N3CCC(O)C3)c2s1.Cc1nc2nc(NC(C)c3ccccn3)nc(C(=O)N3CCC(O)C3)c2s1.Cc1nc2nc(NC(C)c3cncc(F)c3)nc(C(=O)CCCC3CCN(C)CC3)c2s1
• InChI: InChI=1S/C24H24FN5OS.C23H29FN6OS.C22H20FN5OS.C19H21N5O2S.C18H20N6O2S.C18H20N6OS/c1-14-7-9-17(10-8-14)5-4-6-20(31)21-22-23(28-16(3)32-22)30-24(29-21)27-15(2)18-11-19(25)13-26-12-18;1-14(17-11-18(24)13-25-12-17)26-23-28-20(21-22(29-23)27-15(2)32-21)19(31)6-4-5-16-7-9-30(3)10-8-16;1-13(16-6-3-7-17(23)11-16)25-22-27-19(20-21(28-22)26-14(2)30-20)18(29)9-8-15-5-4-10-24-12-15;1-11(13-6-4-3-5-7-13)20-19-22-15(16-17(23-19)21-12(2)27-16)18(26)24-9-8-14(25)10-24;1-10(13-5-3-4-7-19-13)20-18-22-14(15-16(23-18)21-11(2)27-15)17(26)24-8-6-12(25)9-24;1-11(12-7-3-2-4-8-12)20-18-21-13(16(25)24-9-5-6-10-24)14-15(23-18)22-17(19)26-14/h7-13,15H,4-6H2,1-3H3,(H,27,29,30);11-14,16H,4-10H2,1-3H3,(H,26,28,29);3-7,10-13H,8-9H2,1-2H3,(H,25,27,28);3-7,11,14,25H,8-10H2,1-2H3,(H,20,22,23);3-5,7,10,12,25H,6,8-9H2,1-2H3,(H,20,22,23);2-4,7-8,11H,5-6,9-10H2,1H3,(H3,19,20,21,22,23)
• InChIKey: AXQYLHCIKKVSDW-UHFFFAOYSA-N
• XLogP: 23.35
• TPSA: 537.62 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 44
• Rotatable Bonds: 35
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2464.05
LogP ≤ 5	23.35
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	44

Frequently Asked Questions

What is the IUPAC name of [2-amino-5-(1-phenylethylamino)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-pyrrolidin-1-ylmethanone;1-[5-[1-(3-fluorophenyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-3-pyridin-3-ylpropan-1-one;1-[5-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-4-(4-methylphenyl)butan-1-one;1-[5-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-4-(1-methylpiperidin-4-yl)butan-1-one;(3-hydroxypyrrolidin-1-yl)-[2-methyl-5-(1-phenylethylamino)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]methanone;(3-hydroxypyrrolidin-1-yl)-[2-methyl-5-(1-pyridin-2-ylethylamino)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]methanone?

The IUPAC name of [2-amino-5-(1-phenylethylamino)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-pyrrolidin-1-ylmethanone;1-[5-[1-(3-fluorophenyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-3-pyridin-3-ylpropan-1-one;1-[5-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-4-(4-methylphenyl)butan-1-one;1-[5-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-4-(1-methylpiperidin-4-yl)butan-1-one;(3-hydroxypyrrolidin-1-yl)-[2-methyl-5-(1-phenylethylamino)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]methanone;(3-hydroxypyrrolidin-1-yl)-[2-methyl-5-(1-pyridin-2-ylethylamino)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]methanone (CID 157262879) is [2-amino-5-(1-phenylethylamino)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-pyrrolidin-1-ylmethanone;1-[5-[1-(3-fluorophenyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-3-pyridin-3-ylpropan-1-one;1-[5-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-4-(4-methylphenyl)butan-1-one;1-[5-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-4-(1-methylpiperidin-4-yl)butan-1-one;(3-hydroxypyrrolidin-1-yl)-[2-methyl-5-(1-phenylethylamino)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]methanone;(3-hydroxypyrrolidin-1-yl)-[2-methyl-5-(1-pyridin-2-ylethylamino)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]methanone.

What is the SMILES notation for [2-amino-5-(1-phenylethylamino)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-pyrrolidin-1-ylmethanone;1-[5-[1-(3-fluorophenyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-3-pyridin-3-ylpropan-1-one;1-[5-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-4-(4-methylphenyl)butan-1-one;1-[5-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-4-(1-methylpiperidin-4-yl)butan-1-one;(3-hydroxypyrrolidin-1-yl)-[2-methyl-5-(1-phenylethylamino)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]methanone;(3-hydroxypyrrolidin-1-yl)-[2-methyl-5-(1-pyridin-2-ylethylamino)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]methanone?

The canonical SMILES for [2-amino-5-(1-phenylethylamino)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-pyrrolidin-1-ylmethanone;1-[5-[1-(3-fluorophenyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-3-pyridin-3-ylpropan-1-one;1-[5-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-4-(4-methylphenyl)butan-1-one;1-[5-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-4-(1-methylpiperidin-4-yl)butan-1-one;(3-hydroxypyrrolidin-1-yl)-[2-methyl-5-(1-phenylethylamino)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]methanone;(3-hydroxypyrrolidin-1-yl)-[2-methyl-5-(1-pyridin-2-ylethylamino)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]methanone is CC(Nc1nc(C(=O)N2CCCC2)c2sc(N)nc2n1)c1ccccc1.Cc1ccc(CCCC(=O)c2nc(NC(C)c3cncc(F)c3)nc3nc(C)sc23)cc1.Cc1nc2nc(NC(C)c3cccc(F)c3)nc(C(=O)CCc3cccnc3)c2s1.Cc1nc2nc(NC(C)c3ccccc3)nc(C(=O)N3CCC(O)C3)c2s1.Cc1nc2nc(NC(C)c3ccccn3)nc(C(=O)N3CCC(O)C3)c2s1.Cc1nc2nc(NC(C)c3cncc(F)c3)nc(C(=O)CCCC3CCN(C)CC3)c2s1.

What is the InChIKey of [2-amino-5-(1-phenylethylamino)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-pyrrolidin-1-ylmethanone;1-[5-[1-(3-fluorophenyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-3-pyridin-3-ylpropan-1-one;1-[5-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-4-(4-methylphenyl)butan-1-one;1-[5-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-4-(1-methylpiperidin-4-yl)butan-1-one;(3-hydroxypyrrolidin-1-yl)-[2-methyl-5-(1-phenylethylamino)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]methanone;(3-hydroxypyrrolidin-1-yl)-[2-methyl-5-(1-pyridin-2-ylethylamino)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]methanone?

The InChIKey is AXQYLHCIKKVSDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN5OS.C23H29FN6OS.C22H20FN5OS.C19H21N5O2S.C18H20N6O2S.C18H20N6OS/c1-14-7-9-17(10-8-14)5-4-6-20(31)21-22-23(28-16(3)32-22)30-24(29-21)27-15(2)18-11-19(25)13-26-12-18;1-14(17-11-18(24)13-25-12-17)26-23-28-20(21-22(29-23)27-15(2)32-21)19(31)6-4-5-16-7-9-30(3)10-8-16;1-13(16-6-3-7-17(23)11-16)25-22-27-19(20-21(28-22)26-14(2)30-20)18(29)9-8-15-5-4-10-24-12-15;1-11(13-6-4-3-5-7-13)20-19-22-15(16-17(23-19)21-12(2)27-16)18(26)24-9-8-14(25)10-24;1-10(13-5-3-4-7-19-13)20-18-22-14(15-16(23-18)21-11(2)27-15)17(26)24-8-6-12(25)9-24;1-11(12-7-3-2-4-8-12)20-18-21-13(16(25)24-9-5-6-10-24)14-15(23-18)22-17(19)26-14/h7-13,15H,4-6H2,1-3H3,(H,27,29,30);11-14,16H,4-10H2,1-3H3,(H,26,28,29);3-7,10-13H,8-9H2,1-2H3,(H,25,27,28);3-7,11,14,25H,8-10H2,1-2H3,(H,20,22,23);3-5,7,10,12,25H,6,8-9H2,1-2H3,(H,20,22,23);2-4,7-8,11H,5-6,9-10H2,1H3,(H3,19,20,21,22,23).

What are the key properties of [2-amino-5-(1-phenylethylamino)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-pyrrolidin-1-ylmethanone;1-[5-[1-(3-fluorophenyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-3-pyridin-3-ylpropan-1-one;1-[5-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-4-(4-methylphenyl)butan-1-one;1-[5-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-4-(1-methylpiperidin-4-yl)butan-1-one;(3-hydroxypyrrolidin-1-yl)-[2-methyl-5-(1-phenylethylamino)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]methanone;(3-hydroxypyrrolidin-1-yl)-[2-methyl-5-(1-pyridin-2-ylethylamino)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]methanone?

[2-amino-5-(1-phenylethylamino)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-pyrrolidin-1-ylmethanone;1-[5-[1-(3-fluorophenyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-3-pyridin-3-ylpropan-1-one;1-[5-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-4-(4-methylphenyl)butan-1-one;1-[5-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-4-(1-methylpiperidin-4-yl)butan-1-one;(3-hydroxypyrrolidin-1-yl)-[2-methyl-5-(1-phenylethylamino)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]methanone;(3-hydroxypyrrolidin-1-yl)-[2-methyl-5-(1-pyridin-2-ylethylamino)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]methanone has a molecular weight of 2464.05 g/mol, XLogP of 23.35, 35 rotatable bonds, 9 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for [2-amino-5-(1-phenylethylamino)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-pyrrolidin-1-ylmethanone;1-[5-[1-(3-fluorophenyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-3-pyridin-3-ylpropan-1-one;1-[5-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-4-(4-methylphenyl)butan-1-one;1-[5-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-4-(1-methylpiperidin-4-yl)butan-1-one;(3-hydroxypyrrolidin-1-yl)-[2-methyl-5-(1-phenylethylamino)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]methanone;(3-hydroxypyrrolidin-1-yl)-[2-methyl-5-(1-pyridin-2-ylethylamino)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]methanone is sourced from PubChem (CID 157262879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).