azetidin-1-yl-[2-methyl-5-[[(1S)-1-pyridin-2-ylethyl]amino]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]methanone;[5-[[(1S)-1-(3-fluorophenyl)ethyl]amino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone;1-[5-[[(1S)-1-(3-fluorophenyl)ethyl]amino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-3-(oxan-4-yl)propan-1-one;(4R)-4-hydroxy-1-[2-methyl-5-[[(1S)-1-phenylethyl]amino]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]pentan-1-one;3-methyl-1-[2-methyl-5-[[(1S)-1-pyridin-2-ylethyl]amino]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]butan-1-one;[2-methyl-5-[[(1S)-1-pyridin-2-ylethyl]amino]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-pyrrolidin-1-ylmethanone

C113H126F2N30O9S6 — CID 158580773

About azetidin-1-yl-[2-methyl-5-[[(1S)-1-pyridin-2-ylethyl]amino]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]methanone;[5-[[(1S)-1-(3-fluorophenyl)ethyl]amino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone;1-[5-[[(1S)-1-(3-fluorophenyl)ethyl]amino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-3-(oxan-4-yl)propan-1-one;(4R)-4-hydroxy-1-[2-methyl-5-[[(1S)-1-phenylethyl]amino]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]pentan-1-one;3-methyl-1-[2-methyl-5-[[(1S)-1-pyridin-2-ylethyl]amino]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]butan-1-one;[2-methyl-5-[[(1S)-1-pyridin-2-ylethyl]amino]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-pyrrolidin-1-ylmethanone

azetidin-1-yl-[2-methyl-5-[[(1S)-1-pyridin-2-ylethyl]amino]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]methanone;[5-[[(1S)-1-(3-fluorophenyl)ethyl]amino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone;1-[5-[[(1S)-1-(3-fluorophenyl)ethyl]amino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-3-(oxan-4-yl)propan-1-one;(4R)-4-hydroxy-1-[2-methyl-5-[[(1S)-1-phenylethyl]amino]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]pentan-1-one;3-methyl-1-[2-methyl-5-[[(1S)-1-pyridin-2-ylethyl]amino]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]butan-1-one;[2-methyl-5-[[(1S)-1-pyridin-2-ylethyl]amino]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-pyrrolidin-1-ylmethanone (PubChem CID 158580773) has the molecular formula C113H126F2N30O9S6 and a molecular weight of 2278.85 g/mol. Its IUPAC name is azetidin-1-yl-[2-methyl-5-[[(1S)-1-pyridin-2-ylethyl]amino]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]methanone;[5-[[(1S)-1-(3-fluorophenyl)ethyl]amino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone;1-[5-[[(1S)-1-(3-fluorophenyl)ethyl]amino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-3-(oxan-4-yl)propan-1-one;(4R)-4-hydroxy-1-[2-methyl-5-[[(1S)-1-phenylethyl]amino]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]pentan-1-one;3-methyl-1-[2-methyl-5-[[(1S)-1-pyridin-2-ylethyl]amino]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]butan-1-one;[2-methyl-5-[[(1S)-1-pyridin-2-ylethyl]amino]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

• Compound Name: azetidin-1-yl-[2-methyl-5-[[(1S)-1-pyridin-2-ylethyl]amino]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]methanone;[5-[[(1S)-1-(3-fluorophenyl)ethyl]amino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone;1-[5-[[(1S)-1-(3-fluorophenyl)ethyl]amino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-3-(oxan-4-yl)propan-1-one;(4R)-4-hydroxy-1-[2-methyl-5-[[(1S)-1-phenylethyl]amino]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]pentan-1-one;3-methyl-1-[2-methyl-5-[[(1S)-1-pyridin-2-ylethyl]amino]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]butan-1-one;[2-methyl-5-[[(1S)-1-pyridin-2-ylethyl]amino]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-pyrrolidin-1-ylmethanone
• PubChem CID: 158580773
• Molecular Formula: C113H126F2N30O9S6
• Molecular Weight: 2278.85 g/mol
• Exact Mass: 2276.86
• IUPAC Name: azetidin-1-yl-[2-methyl-5-[[(1S)-1-pyridin-2-ylethyl]amino]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]methanone;[5-[[(1S)-1-(3-fluorophenyl)ethyl]amino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone;1-[5-[[(1S)-1-(3-fluorophenyl)ethyl]amino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-3-(oxan-4-yl)propan-1-one;(4R)-4-hydroxy-1-[2-methyl-5-[[(1S)-1-phenylethyl]amino]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]pentan-1-one;3-methyl-1-[2-methyl-5-[[(1S)-1-pyridin-2-ylethyl]amino]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]butan-1-one;[2-methyl-5-[[(1S)-1-pyridin-2-ylethyl]amino]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-pyrrolidin-1-ylmethanone
• SMILES: Cc1nc2nc(N[C@@H](C)c3cccc(F)c3)nc(C(=O)CCC3CCOCC3)c2s1.Cc1nc2nc(N[C@@H](C)c3cccc(F)c3)nc(C(=O)N3CC[C@@H](O)C3)c2s1.Cc1nc2nc(N[C@@H](C)c3ccccc3)nc(C(=O)CC[C@@H](C)O)c2s1.Cc1nc2nc(N[C@@H](C)c3ccccn3)nc(C(=O)CC(C)C)c2s1.Cc1nc2nc(N[C@@H](C)c3ccccn3)nc(C(=O)N3CCC3)c2s1.Cc1nc2nc(N[C@@H](C)c3ccccn3)nc(C(=O)N3CCCC3)c2s1
• InChI: InChI=1S/C22H25FN4O2S.C19H20FN5O2S.C19H22N4O2S.C18H20N6OS.C18H21N5OS.C17H18N6OS/c1-13(16-4-3-5-17(23)12-16)24-22-26-19(20-21(27-22)25-14(2)30-20)18(28)7-6-15-8-10-29-11-9-15;1-10(12-4-3-5-13(20)8-12)21-19-23-15(16-17(24-19)22-11(2)28-16)18(27)25-7-6-14(26)9-25;1-11(24)9-10-15(25)16-17-18(21-13(3)26-17)23-19(22-16)20-12(2)14-7-5-4-6-8-14;1-11(13-7-3-4-8-19-13)20-18-22-14(17(25)24-9-5-6-10-24)15-16(23-18)21-12(2)26-15;1-10(2)9-14(24)15-16-17(21-12(4)25-16)23-18(22-15)20-11(3)13-7-5-6-8-19-13;1-10(12-6-3-4-7-18-12)19-17-21-13(16(24)23-8-5-9-23)14-15(22-17)20-11(2)25-14/h3-5,12-13,15H,6-11H2,1-2H3,(H,24,26,27);3-5,8,10,14,26H,6-7,9H2,1-2H3,(H,21,23,24);4-8,11-12,24H,9-10H2,1-3H3,(H,20,22,23);3-4,7-8,11H,5-6,9-10H2,1-2H3,(H,20,22,23);5-8,10-11H,9H2,1-4H3,(H,20,22,23);3-4,6-7,10H,5,8-9H2,1-2H3,(H,19,21,22)/t13-;10-,14+;11-,12+;2*11-;10-/m001000/s1
• InChIKey: HTFPJUYUUGLDDJ-TZJHTURXSA-N
• XLogP: 22.12
• TPSA: 504.70 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 42
• Rotatable Bonds: 32
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2278.85
LogP ≤ 5	22.12
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	42

Frequently Asked Questions

What is the IUPAC name of azetidin-1-yl-[2-methyl-5-[[(1S)-1-pyridin-2-ylethyl]amino]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]methanone;[5-[[(1S)-1-(3-fluorophenyl)ethyl]amino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone;1-[5-[[(1S)-1-(3-fluorophenyl)ethyl]amino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-3-(oxan-4-yl)propan-1-one;(4R)-4-hydroxy-1-[2-methyl-5-[[(1S)-1-phenylethyl]amino]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]pentan-1-one;3-methyl-1-[2-methyl-5-[[(1S)-1-pyridin-2-ylethyl]amino]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]butan-1-one;[2-methyl-5-[[(1S)-1-pyridin-2-ylethyl]amino]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-pyrrolidin-1-ylmethanone?

The IUPAC name of azetidin-1-yl-[2-methyl-5-[[(1S)-1-pyridin-2-ylethyl]amino]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]methanone;[5-[[(1S)-1-(3-fluorophenyl)ethyl]amino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone;1-[5-[[(1S)-1-(3-fluorophenyl)ethyl]amino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-3-(oxan-4-yl)propan-1-one;(4R)-4-hydroxy-1-[2-methyl-5-[[(1S)-1-phenylethyl]amino]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]pentan-1-one;3-methyl-1-[2-methyl-5-[[(1S)-1-pyridin-2-ylethyl]amino]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]butan-1-one;[2-methyl-5-[[(1S)-1-pyridin-2-ylethyl]amino]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-pyrrolidin-1-ylmethanone (CID 158580773) is azetidin-1-yl-[2-methyl-5-[[(1S)-1-pyridin-2-ylethyl]amino]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]methanone;[5-[[(1S)-1-(3-fluorophenyl)ethyl]amino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone;1-[5-[[(1S)-1-(3-fluorophenyl)ethyl]amino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-3-(oxan-4-yl)propan-1-one;(4R)-4-hydroxy-1-[2-methyl-5-[[(1S)-1-phenylethyl]amino]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]pentan-1-one;3-methyl-1-[2-methyl-5-[[(1S)-1-pyridin-2-ylethyl]amino]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]butan-1-one;[2-methyl-5-[[(1S)-1-pyridin-2-ylethyl]amino]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-pyrrolidin-1-ylmethanone.

What is the SMILES notation for azetidin-1-yl-[2-methyl-5-[[(1S)-1-pyridin-2-ylethyl]amino]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]methanone;[5-[[(1S)-1-(3-fluorophenyl)ethyl]amino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone;1-[5-[[(1S)-1-(3-fluorophenyl)ethyl]amino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-3-(oxan-4-yl)propan-1-one;(4R)-4-hydroxy-1-[2-methyl-5-[[(1S)-1-phenylethyl]amino]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]pentan-1-one;3-methyl-1-[2-methyl-5-[[(1S)-1-pyridin-2-ylethyl]amino]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]butan-1-one;[2-methyl-5-[[(1S)-1-pyridin-2-ylethyl]amino]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-pyrrolidin-1-ylmethanone?

The canonical SMILES for azetidin-1-yl-[2-methyl-5-[[(1S)-1-pyridin-2-ylethyl]amino]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]methanone;[5-[[(1S)-1-(3-fluorophenyl)ethyl]amino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone;1-[5-[[(1S)-1-(3-fluorophenyl)ethyl]amino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-3-(oxan-4-yl)propan-1-one;(4R)-4-hydroxy-1-[2-methyl-5-[[(1S)-1-phenylethyl]amino]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]pentan-1-one;3-methyl-1-[2-methyl-5-[[(1S)-1-pyridin-2-ylethyl]amino]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]butan-1-one;[2-methyl-5-[[(1S)-1-pyridin-2-ylethyl]amino]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-pyrrolidin-1-ylmethanone is Cc1nc2nc(N[C@@H](C)c3cccc(F)c3)nc(C(=O)CCC3CCOCC3)c2s1.Cc1nc2nc(N[C@@H](C)c3cccc(F)c3)nc(C(=O)N3CC[C@@H](O)C3)c2s1.Cc1nc2nc(N[C@@H](C)c3ccccc3)nc(C(=O)CC[C@@H](C)O)c2s1.Cc1nc2nc(N[C@@H](C)c3ccccn3)nc(C(=O)CC(C)C)c2s1.Cc1nc2nc(N[C@@H](C)c3ccccn3)nc(C(=O)N3CCC3)c2s1.Cc1nc2nc(N[C@@H](C)c3ccccn3)nc(C(=O)N3CCCC3)c2s1.

What is the InChIKey of azetidin-1-yl-[2-methyl-5-[[(1S)-1-pyridin-2-ylethyl]amino]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]methanone;[5-[[(1S)-1-(3-fluorophenyl)ethyl]amino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone;1-[5-[[(1S)-1-(3-fluorophenyl)ethyl]amino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-3-(oxan-4-yl)propan-1-one;(4R)-4-hydroxy-1-[2-methyl-5-[[(1S)-1-phenylethyl]amino]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]pentan-1-one;3-methyl-1-[2-methyl-5-[[(1S)-1-pyridin-2-ylethyl]amino]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]butan-1-one;[2-methyl-5-[[(1S)-1-pyridin-2-ylethyl]amino]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-pyrrolidin-1-ylmethanone?

The InChIKey is HTFPJUYUUGLDDJ-TZJHTURXSA-N. The full InChI is InChI=1S/C22H25FN4O2S.C19H20FN5O2S.C19H22N4O2S.C18H20N6OS.C18H21N5OS.C17H18N6OS/c1-13(16-4-3-5-17(23)12-16)24-22-26-19(20-21(27-22)25-14(2)30-20)18(28)7-6-15-8-10-29-11-9-15;1-10(12-4-3-5-13(20)8-12)21-19-23-15(16-17(24-19)22-11(2)28-16)18(27)25-7-6-14(26)9-25;1-11(24)9-10-15(25)16-17-18(21-13(3)26-17)23-19(22-16)20-12(2)14-7-5-4-6-8-14;1-11(13-7-3-4-8-19-13)20-18-22-14(17(25)24-9-5-6-10-24)15-16(23-18)21-12(2)26-15;1-10(2)9-14(24)15-16-17(21-12(4)25-16)23-18(22-15)20-11(3)13-7-5-6-8-19-13;1-10(12-6-3-4-7-18-12)19-17-21-13(16(24)23-8-5-9-23)14-15(22-17)20-11(2)25-14/h3-5,12-13,15H,6-11H2,1-2H3,(H,24,26,27);3-5,8,10,14,26H,6-7,9H2,1-2H3,(H,21,23,24);4-8,11-12,24H,9-10H2,1-3H3,(H,20,22,23);3-4,7-8,11H,5-6,9-10H2,1-2H3,(H,20,22,23);5-8,10-11H,9H2,1-4H3,(H,20,22,23);3-4,6-7,10H,5,8-9H2,1-2H3,(H,19,21,22)/t13-;10-,14+;11-,12+;2*11-;10-/m001000/s1.

What are the key properties of azetidin-1-yl-[2-methyl-5-[[(1S)-1-pyridin-2-ylethyl]amino]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]methanone;[5-[[(1S)-1-(3-fluorophenyl)ethyl]amino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone;1-[5-[[(1S)-1-(3-fluorophenyl)ethyl]amino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-3-(oxan-4-yl)propan-1-one;(4R)-4-hydroxy-1-[2-methyl-5-[[(1S)-1-phenylethyl]amino]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]pentan-1-one;3-methyl-1-[2-methyl-5-[[(1S)-1-pyridin-2-ylethyl]amino]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]butan-1-one;[2-methyl-5-[[(1S)-1-pyridin-2-ylethyl]amino]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-pyrrolidin-1-ylmethanone?

azetidin-1-yl-[2-methyl-5-[[(1S)-1-pyridin-2-ylethyl]amino]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]methanone;[5-[[(1S)-1-(3-fluorophenyl)ethyl]amino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone;1-[5-[[(1S)-1-(3-fluorophenyl)ethyl]amino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-3-(oxan-4-yl)propan-1-one;(4R)-4-hydroxy-1-[2-methyl-5-[[(1S)-1-phenylethyl]amino]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]pentan-1-one;3-methyl-1-[2-methyl-5-[[(1S)-1-pyridin-2-ylethyl]amino]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]butan-1-one;[2-methyl-5-[[(1S)-1-pyridin-2-ylethyl]amino]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 2278.85 g/mol, XLogP of 22.12, 32 rotatable bonds, 8 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for azetidin-1-yl-[2-methyl-5-[[(1S)-1-pyridin-2-ylethyl]amino]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]methanone;[5-[[(1S)-1-(3-fluorophenyl)ethyl]amino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone;1-[5-[[(1S)-1-(3-fluorophenyl)ethyl]amino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-3-(oxan-4-yl)propan-1-one;(4R)-4-hydroxy-1-[2-methyl-5-[[(1S)-1-phenylethyl]amino]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]pentan-1-one;3-methyl-1-[2-methyl-5-[[(1S)-1-pyridin-2-ylethyl]amino]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]butan-1-one;[2-methyl-5-[[(1S)-1-pyridin-2-ylethyl]amino]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 158580773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).