[5-[1-(3-fluorophenyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone;[5-[1-(3-fluorophenyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-[3-(methoxymethyl)azetidin-1-yl]methanone;[5-[1-(3-fluorophenyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone;1-[5-[1-(3-fluorophenyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-4-morpholin-4-ylbutan-1-one;2-[1-[5-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]azetidin-3-yl]-1-(oxolan-3-yl)ethanone

C106H119F5N26O11S5 — CID 157173669

About [5-[1-(3-fluorophenyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone;[5-[1-(3-fluorophenyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-[3-(methoxymethyl)azetidin-1-yl]methanone;[5-[1-(3-fluorophenyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone;1-[5-[1-(3-fluorophenyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-4-morpholin-4-ylbutan-1-one;2-[1-[5-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]azetidin-3-yl]-1-(oxolan-3-yl)ethanone

[5-[1-(3-fluorophenyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone;[5-[1-(3-fluorophenyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-[3-(methoxymethyl)azetidin-1-yl]methanone;[5-[1-(3-fluorophenyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone;1-[5-[1-(3-fluorophenyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-4-morpholin-4-ylbutan-1-one;2-[1-[5-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]azetidin-3-yl]-1-(oxolan-3-yl)ethanone (PubChem CID 157173669) has the molecular formula C106H119F5N26O11S5 and a molecular weight of 2188.61 g/mol. Its IUPAC name is [5-[1-(3-fluorophenyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone;[5-[1-(3-fluorophenyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-[3-(methoxymethyl)azetidin-1-yl]methanone;[5-[1-(3-fluorophenyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone;1-[5-[1-(3-fluorophenyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-4-morpholin-4-ylbutan-1-one;2-[1-[5-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]azetidin-3-yl]-1-(oxolan-3-yl)ethanone.

Molecular Properties

• Compound Name: [5-[1-(3-fluorophenyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone;[5-[1-(3-fluorophenyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-[3-(methoxymethyl)azetidin-1-yl]methanone;[5-[1-(3-fluorophenyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone;1-[5-[1-(3-fluorophenyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-4-morpholin-4-ylbutan-1-one;2-[1-[5-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]azetidin-3-yl]-1-(oxolan-3-yl)ethanone
• PubChem CID: 157173669
• Molecular Formula: C106H119F5N26O11S5
• Molecular Weight: 2188.61 g/mol
• Exact Mass: 2186.81
• IUPAC Name: [5-[1-(3-fluorophenyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone;[5-[1-(3-fluorophenyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-[3-(methoxymethyl)azetidin-1-yl]methanone;[5-[1-(3-fluorophenyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone;1-[5-[1-(3-fluorophenyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-4-morpholin-4-ylbutan-1-one;2-[1-[5-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]azetidin-3-yl]-1-(oxolan-3-yl)ethanone
• SMILES: COCC1CCN(C(=O)c2nc(NC(C)c3cccc(F)c3)nc3nc(C)sc23)C1.COCC1CN(C(=O)c2nc(NC(C)c3cccc(F)c3)nc3nc(C)sc23)C1.Cc1nc2nc(NC(C)c3cccc(F)c3)nc(C(=O)CCCN3CCOCC3)c2s1.Cc1nc2nc(NC(C)c3cccc(F)c3)nc(C(=O)N3CCC(CO)C3)c2s1.Cc1nc2nc(NC(C)c3cncc(F)c3)nc(C(=O)N3CC(CC(=O)C4CCOC4)C3)c2s1
• InChI: InChI=1S/C23H25FN6O3S.C22H26FN5O2S.C21H24FN5O2S.2C20H22FN5O2S/c1-12(16-6-17(24)8-25-7-16)26-23-28-19(20-21(29-23)27-13(2)34-20)22(32)30-9-14(10-30)5-18(31)15-3-4-33-11-15;1-14(16-5-3-6-17(23)13-16)24-22-26-19(20-21(27-22)25-15(2)31-20)18(29)7-4-8-28-9-11-30-12-10-28;1-12(15-5-4-6-16(22)9-15)23-21-25-17(18-19(26-21)24-13(2)30-18)20(28)27-8-7-14(10-27)11-29-3;1-11(14-5-4-6-15(21)7-14)22-20-24-16(17-18(25-20)23-12(2)29-17)19(27)26-8-13(9-26)10-28-3;1-11(14-4-3-5-15(21)8-14)22-20-24-16(17-18(25-20)23-12(2)29-17)19(28)26-7-6-13(9-26)10-27/h6-8,12,14-15H,3-5,9-11H2,1-2H3,(H,26,28,29);3,5-6,13-14H,4,7-12H2,1-2H3,(H,24,26,27);4-6,9,12,14H,7-8,10-11H2,1-3H3,(H,23,25,26);4-7,11,13H,8-10H2,1-3H3,(H,22,24,25);3-5,8,11,13,27H,6-7,9-10H2,1-2H3,(H,22,24,25)
• InChIKey: ANTMBXVAMSKRGN-UHFFFAOYSA-N
• XLogP: 17.57
• TPSA: 442.16 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 38
• Rotatable Bonds: 32
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2188.61
LogP ≤ 5	17.57
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	38

Frequently Asked Questions

What is the IUPAC name of [5-[1-(3-fluorophenyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone;[5-[1-(3-fluorophenyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-[3-(methoxymethyl)azetidin-1-yl]methanone;[5-[1-(3-fluorophenyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone;1-[5-[1-(3-fluorophenyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-4-morpholin-4-ylbutan-1-one;2-[1-[5-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]azetidin-3-yl]-1-(oxolan-3-yl)ethanone?

The IUPAC name of [5-[1-(3-fluorophenyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone;[5-[1-(3-fluorophenyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-[3-(methoxymethyl)azetidin-1-yl]methanone;[5-[1-(3-fluorophenyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone;1-[5-[1-(3-fluorophenyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-4-morpholin-4-ylbutan-1-one;2-[1-[5-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]azetidin-3-yl]-1-(oxolan-3-yl)ethanone (CID 157173669) is [5-[1-(3-fluorophenyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone;[5-[1-(3-fluorophenyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-[3-(methoxymethyl)azetidin-1-yl]methanone;[5-[1-(3-fluorophenyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone;1-[5-[1-(3-fluorophenyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-4-morpholin-4-ylbutan-1-one;2-[1-[5-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]azetidin-3-yl]-1-(oxolan-3-yl)ethanone.

What is the SMILES notation for [5-[1-(3-fluorophenyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone;[5-[1-(3-fluorophenyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-[3-(methoxymethyl)azetidin-1-yl]methanone;[5-[1-(3-fluorophenyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone;1-[5-[1-(3-fluorophenyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-4-morpholin-4-ylbutan-1-one;2-[1-[5-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]azetidin-3-yl]-1-(oxolan-3-yl)ethanone?

The canonical SMILES for [5-[1-(3-fluorophenyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone;[5-[1-(3-fluorophenyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-[3-(methoxymethyl)azetidin-1-yl]methanone;[5-[1-(3-fluorophenyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone;1-[5-[1-(3-fluorophenyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-4-morpholin-4-ylbutan-1-one;2-[1-[5-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]azetidin-3-yl]-1-(oxolan-3-yl)ethanone is COCC1CCN(C(=O)c2nc(NC(C)c3cccc(F)c3)nc3nc(C)sc23)C1.COCC1CN(C(=O)c2nc(NC(C)c3cccc(F)c3)nc3nc(C)sc23)C1.Cc1nc2nc(NC(C)c3cccc(F)c3)nc(C(=O)CCCN3CCOCC3)c2s1.Cc1nc2nc(NC(C)c3cccc(F)c3)nc(C(=O)N3CCC(CO)C3)c2s1.Cc1nc2nc(NC(C)c3cncc(F)c3)nc(C(=O)N3CC(CC(=O)C4CCOC4)C3)c2s1.

What is the InChIKey of [5-[1-(3-fluorophenyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone;[5-[1-(3-fluorophenyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-[3-(methoxymethyl)azetidin-1-yl]methanone;[5-[1-(3-fluorophenyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone;1-[5-[1-(3-fluorophenyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-4-morpholin-4-ylbutan-1-one;2-[1-[5-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]azetidin-3-yl]-1-(oxolan-3-yl)ethanone?

The InChIKey is ANTMBXVAMSKRGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN6O3S.C22H26FN5O2S.C21H24FN5O2S.2C20H22FN5O2S/c1-12(16-6-17(24)8-25-7-16)26-23-28-19(20-21(29-23)27-13(2)34-20)22(32)30-9-14(10-30)5-18(31)15-3-4-33-11-15;1-14(16-5-3-6-17(23)13-16)24-22-26-19(20-21(27-22)25-15(2)31-20)18(29)7-4-8-28-9-11-30-12-10-28;1-12(15-5-4-6-16(22)9-15)23-21-25-17(18-19(26-21)24-13(2)30-18)20(28)27-8-7-14(10-27)11-29-3;1-11(14-5-4-6-15(21)7-14)22-20-24-16(17-18(25-20)23-12(2)29-17)19(27)26-8-13(9-26)10-28-3;1-11(14-4-3-5-15(21)8-14)22-20-24-16(17-18(25-20)23-12(2)29-17)19(28)26-7-6-13(9-26)10-27/h6-8,12,14-15H,3-5,9-11H2,1-2H3,(H,26,28,29);3,5-6,13-14H,4,7-12H2,1-2H3,(H,24,26,27);4-6,9,12,14H,7-8,10-11H2,1-3H3,(H,23,25,26);4-7,11,13H,8-10H2,1-3H3,(H,22,24,25);3-5,8,11,13,27H,6-7,9-10H2,1-2H3,(H,22,24,25).

What are the key properties of [5-[1-(3-fluorophenyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone;[5-[1-(3-fluorophenyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-[3-(methoxymethyl)azetidin-1-yl]methanone;[5-[1-(3-fluorophenyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone;1-[5-[1-(3-fluorophenyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-4-morpholin-4-ylbutan-1-one;2-[1-[5-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]azetidin-3-yl]-1-(oxolan-3-yl)ethanone?

[5-[1-(3-fluorophenyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone;[5-[1-(3-fluorophenyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-[3-(methoxymethyl)azetidin-1-yl]methanone;[5-[1-(3-fluorophenyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone;1-[5-[1-(3-fluorophenyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-4-morpholin-4-ylbutan-1-one;2-[1-[5-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]azetidin-3-yl]-1-(oxolan-3-yl)ethanone has a molecular weight of 2188.61 g/mol, XLogP of 17.57, 32 rotatable bonds, 6 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for [5-[1-(3-fluorophenyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone;[5-[1-(3-fluorophenyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-[3-(methoxymethyl)azetidin-1-yl]methanone;[5-[1-(3-fluorophenyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone;1-[5-[1-(3-fluorophenyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-4-morpholin-4-ylbutan-1-one;2-[1-[5-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]azetidin-3-yl]-1-(oxolan-3-yl)ethanone is sourced from PubChem (CID 157173669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).