4-cyclohexyl-1-[5-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]butan-1-one;1-[1-[5-[1-(3-fluorophenyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]azetidin-3-yl]propan-2-one;N-[1-[5-[1-(3-fluorophenyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]pyrrolidin-3-yl]acetamide;1-[5-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-4-(4-methylsulfonylphenyl)butan-1-one;1-[2-methyl-5-(1-phenylethylamino)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-3-pyridin-3-ylbutan-1-one

C112H120F4N26O9S6 — CID 162169090

About 4-cyclohexyl-1-[5-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]butan-1-one;1-[1-[5-[1-(3-fluorophenyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]azetidin-3-yl]propan-2-one;N-[1-[5-[1-(3-fluorophenyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]pyrrolidin-3-yl]acetamide;1-[5-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-4-(4-methylsulfonylphenyl)butan-1-one;1-[2-methyl-5-(1-phenylethylamino)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-3-pyridin-3-ylbutan-1-one

4-cyclohexyl-1-[5-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]butan-1-one;1-[1-[5-[1-(3-fluorophenyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]azetidin-3-yl]propan-2-one;N-[1-[5-[1-(3-fluorophenyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]pyrrolidin-3-yl]acetamide;1-[5-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-4-(4-methylsulfonylphenyl)butan-1-one;1-[2-methyl-5-(1-phenylethylamino)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-3-pyridin-3-ylbutan-1-one (PubChem CID 162169090) has the molecular formula C112H120F4N26O9S6 and a molecular weight of 2242.76 g/mol. Its IUPAC name is 4-cyclohexyl-1-[5-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]butan-1-one;1-[1-[5-[1-(3-fluorophenyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]azetidin-3-yl]propan-2-one;N-[1-[5-[1-(3-fluorophenyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]pyrrolidin-3-yl]acetamide;1-[5-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-4-(4-methylsulfonylphenyl)butan-1-one;1-[2-methyl-5-(1-phenylethylamino)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-3-pyridin-3-ylbutan-1-one.

Molecular Properties

• Compound Name: 4-cyclohexyl-1-[5-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]butan-1-one;1-[1-[5-[1-(3-fluorophenyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]azetidin-3-yl]propan-2-one;N-[1-[5-[1-(3-fluorophenyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]pyrrolidin-3-yl]acetamide;1-[5-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-4-(4-methylsulfonylphenyl)butan-1-one;1-[2-methyl-5-(1-phenylethylamino)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-3-pyridin-3-ylbutan-1-one
• PubChem CID: 162169090
• Molecular Formula: C112H120F4N26O9S6
• Molecular Weight: 2242.76 g/mol
• Exact Mass: 2240.80
• IUPAC Name: 4-cyclohexyl-1-[5-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]butan-1-one;1-[1-[5-[1-(3-fluorophenyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]azetidin-3-yl]propan-2-one;N-[1-[5-[1-(3-fluorophenyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]pyrrolidin-3-yl]acetamide;1-[5-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-4-(4-methylsulfonylphenyl)butan-1-one;1-[2-methyl-5-(1-phenylethylamino)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-3-pyridin-3-ylbutan-1-one
• SMILES: CC(=O)CC1CN(C(=O)c2nc(NC(C)c3cccc(F)c3)nc3nc(C)sc23)C1.CC(=O)NC1CCN(C(=O)c2nc(NC(C)c3cccc(F)c3)nc3nc(C)sc23)C1.Cc1nc2nc(NC(C)c3ccccc3)nc(C(=O)CC(C)c3cccnc3)c2s1.Cc1nc2nc(NC(C)c3cncc(F)c3)nc(C(=O)CCCC3CCCCC3)c2s1.Cc1nc2nc(NC(C)c3cncc(F)c3)nc(C(=O)CCCc3ccc(S(C)(=O)=O)cc3)c2s1
• InChI: InChI=1S/C24H24FN5O3S2.C23H28FN5OS.C23H23N5OS.C21H23FN6O2S.C21H22FN5O2S/c1-14(17-11-18(25)13-26-12-17)27-24-29-21(22-23(30-24)28-15(2)34-22)20(31)6-4-5-16-7-9-19(10-8-16)35(3,32)33;1-14(17-11-18(24)13-25-12-17)26-23-28-20(21-22(29-23)27-15(2)31-21)19(30)10-6-9-16-7-4-3-5-8-16;1-14(18-10-7-11-24-13-18)12-19(29)20-21-22(26-16(3)30-21)28-23(27-20)25-15(2)17-8-5-4-6-9-17;1-11(14-5-4-6-15(22)9-14)23-21-26-17(18-19(27-21)25-13(3)31-18)20(30)28-8-7-16(10-28)24-12(2)29;1-11(28)7-14-9-27(10-14)20(29)17-18-19(24-13(3)30-18)26-21(25-17)23-12(2)15-5-4-6-16(22)8-15/h7-14H,4-6H2,1-3H3,(H,27,29,30);11-14,16H,3-10H2,1-2H3,(H,26,28,29);4-11,13-15H,12H2,1-3H3,(H,25,27,28);4-6,9,11,16H,7-8,10H2,1-3H3,(H,24,29)(H,23,26,27);4-6,8,12,14H,7,9-10H2,1-3H3,(H,23,25,26)
• InChIKey: ZNNSKYLPGJBAHF-UHFFFAOYSA-N
• XLogP: 22.90
• TPSA: 464.31 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 37
• Rotatable Bonds: 35
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2242.76
LogP ≤ 5	22.90
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	37

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-1-[5-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]butan-1-one;1-[1-[5-[1-(3-fluorophenyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]azetidin-3-yl]propan-2-one;N-[1-[5-[1-(3-fluorophenyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]pyrrolidin-3-yl]acetamide;1-[5-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-4-(4-methylsulfonylphenyl)butan-1-one;1-[2-methyl-5-(1-phenylethylamino)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-3-pyridin-3-ylbutan-1-one?

The IUPAC name of 4-cyclohexyl-1-[5-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]butan-1-one;1-[1-[5-[1-(3-fluorophenyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]azetidin-3-yl]propan-2-one;N-[1-[5-[1-(3-fluorophenyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]pyrrolidin-3-yl]acetamide;1-[5-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-4-(4-methylsulfonylphenyl)butan-1-one;1-[2-methyl-5-(1-phenylethylamino)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-3-pyridin-3-ylbutan-1-one (CID 162169090) is 4-cyclohexyl-1-[5-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]butan-1-one;1-[1-[5-[1-(3-fluorophenyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]azetidin-3-yl]propan-2-one;N-[1-[5-[1-(3-fluorophenyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]pyrrolidin-3-yl]acetamide;1-[5-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-4-(4-methylsulfonylphenyl)butan-1-one;1-[2-methyl-5-(1-phenylethylamino)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-3-pyridin-3-ylbutan-1-one.

What is the SMILES notation for 4-cyclohexyl-1-[5-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]butan-1-one;1-[1-[5-[1-(3-fluorophenyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]azetidin-3-yl]propan-2-one;N-[1-[5-[1-(3-fluorophenyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]pyrrolidin-3-yl]acetamide;1-[5-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-4-(4-methylsulfonylphenyl)butan-1-one;1-[2-methyl-5-(1-phenylethylamino)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-3-pyridin-3-ylbutan-1-one?

The canonical SMILES for 4-cyclohexyl-1-[5-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]butan-1-one;1-[1-[5-[1-(3-fluorophenyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]azetidin-3-yl]propan-2-one;N-[1-[5-[1-(3-fluorophenyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]pyrrolidin-3-yl]acetamide;1-[5-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-4-(4-methylsulfonylphenyl)butan-1-one;1-[2-methyl-5-(1-phenylethylamino)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-3-pyridin-3-ylbutan-1-one is CC(=O)CC1CN(C(=O)c2nc(NC(C)c3cccc(F)c3)nc3nc(C)sc23)C1.CC(=O)NC1CCN(C(=O)c2nc(NC(C)c3cccc(F)c3)nc3nc(C)sc23)C1.Cc1nc2nc(NC(C)c3ccccc3)nc(C(=O)CC(C)c3cccnc3)c2s1.Cc1nc2nc(NC(C)c3cncc(F)c3)nc(C(=O)CCCC3CCCCC3)c2s1.Cc1nc2nc(NC(C)c3cncc(F)c3)nc(C(=O)CCCc3ccc(S(C)(=O)=O)cc3)c2s1.

What is the InChIKey of 4-cyclohexyl-1-[5-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]butan-1-one;1-[1-[5-[1-(3-fluorophenyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]azetidin-3-yl]propan-2-one;N-[1-[5-[1-(3-fluorophenyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]pyrrolidin-3-yl]acetamide;1-[5-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-4-(4-methylsulfonylphenyl)butan-1-one;1-[2-methyl-5-(1-phenylethylamino)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-3-pyridin-3-ylbutan-1-one?

The InChIKey is ZNNSKYLPGJBAHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN5O3S2.C23H28FN5OS.C23H23N5OS.C21H23FN6O2S.C21H22FN5O2S/c1-14(17-11-18(25)13-26-12-17)27-24-29-21(22-23(30-24)28-15(2)34-22)20(31)6-4-5-16-7-9-19(10-8-16)35(3,32)33;1-14(17-11-18(24)13-25-12-17)26-23-28-20(21-22(29-23)27-15(2)31-21)19(30)10-6-9-16-7-4-3-5-8-16;1-14(18-10-7-11-24-13-18)12-19(29)20-21-22(26-16(3)30-21)28-23(27-20)25-15(2)17-8-5-4-6-9-17;1-11(14-5-4-6-15(22)9-14)23-21-26-17(18-19(27-21)25-13(3)31-18)20(30)28-8-7-16(10-28)24-12(2)29;1-11(28)7-14-9-27(10-14)20(29)17-18-19(24-13(3)30-18)26-21(25-17)23-12(2)15-5-4-6-16(22)8-15/h7-14H,4-6H2,1-3H3,(H,27,29,30);11-14,16H,3-10H2,1-2H3,(H,26,28,29);4-11,13-15H,12H2,1-3H3,(H,25,27,28);4-6,9,11,16H,7-8,10H2,1-3H3,(H,24,29)(H,23,26,27);4-6,8,12,14H,7,9-10H2,1-3H3,(H,23,25,26).

What are the key properties of 4-cyclohexyl-1-[5-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]butan-1-one;1-[1-[5-[1-(3-fluorophenyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]azetidin-3-yl]propan-2-one;N-[1-[5-[1-(3-fluorophenyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]pyrrolidin-3-yl]acetamide;1-[5-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-4-(4-methylsulfonylphenyl)butan-1-one;1-[2-methyl-5-(1-phenylethylamino)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-3-pyridin-3-ylbutan-1-one?

4-cyclohexyl-1-[5-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]butan-1-one;1-[1-[5-[1-(3-fluorophenyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]azetidin-3-yl]propan-2-one;N-[1-[5-[1-(3-fluorophenyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]pyrrolidin-3-yl]acetamide;1-[5-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-4-(4-methylsulfonylphenyl)butan-1-one;1-[2-methyl-5-(1-phenylethylamino)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-3-pyridin-3-ylbutan-1-one has a molecular weight of 2242.76 g/mol, XLogP of 22.90, 35 rotatable bonds, 6 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 4-cyclohexyl-1-[5-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]butan-1-one;1-[1-[5-[1-(3-fluorophenyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]azetidin-3-yl]propan-2-one;N-[1-[5-[1-(3-fluorophenyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]pyrrolidin-3-yl]acetamide;1-[5-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-4-(4-methylsulfonylphenyl)butan-1-one;1-[2-methyl-5-(1-phenylethylamino)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-3-pyridin-3-ylbutan-1-one is sourced from PubChem (CID 162169090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).