azetidin-1-yl-[5-[1-(3-fluorophenyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]methanone;azetidin-1-yl-[2-methyl-5-(1-pyridin-2-ylethylamino)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]methanone;1-[5-[1-(3-fluorophenyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-4-hydroxypentan-1-one;[5-[1-(3-fluorophenyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-(3-hydroxypyrrolidin-1-yl)methanone;[5-[1-(3-fluorophenyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-pyrrolidin-1-ylmethanone;[2-methyl-5-(1-phenylethylamino)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-pyrrolidin-1-ylmethanone

C111H118F4N30O8S6 — CID 159336754

About azetidin-1-yl-[5-[1-(3-fluorophenyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]methanone;azetidin-1-yl-[2-methyl-5-(1-pyridin-2-ylethylamino)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]methanone;1-[5-[1-(3-fluorophenyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-4-hydroxypentan-1-one;[5-[1-(3-fluorophenyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-(3-hydroxypyrrolidin-1-yl)methanone;[5-[1-(3-fluorophenyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-pyrrolidin-1-ylmethanone;[2-methyl-5-(1-phenylethylamino)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-pyrrolidin-1-ylmethanone

azetidin-1-yl-[5-[1-(3-fluorophenyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]methanone;azetidin-1-yl-[2-methyl-5-(1-pyridin-2-ylethylamino)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]methanone;1-[5-[1-(3-fluorophenyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-4-hydroxypentan-1-one;[5-[1-(3-fluorophenyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-(3-hydroxypyrrolidin-1-yl)methanone;[5-[1-(3-fluorophenyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-pyrrolidin-1-ylmethanone;[2-methyl-5-(1-phenylethylamino)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-pyrrolidin-1-ylmethanone (PubChem CID 159336754) has the molecular formula C111H118F4N30O8S6 and a molecular weight of 2268.76 g/mol. Its IUPAC name is azetidin-1-yl-[5-[1-(3-fluorophenyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]methanone;azetidin-1-yl-[2-methyl-5-(1-pyridin-2-ylethylamino)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]methanone;1-[5-[1-(3-fluorophenyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-4-hydroxypentan-1-one;[5-[1-(3-fluorophenyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-(3-hydroxypyrrolidin-1-yl)methanone;[5-[1-(3-fluorophenyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-pyrrolidin-1-ylmethanone;[2-methyl-5-(1-phenylethylamino)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

• Compound Name: azetidin-1-yl-[5-[1-(3-fluorophenyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]methanone;azetidin-1-yl-[2-methyl-5-(1-pyridin-2-ylethylamino)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]methanone;1-[5-[1-(3-fluorophenyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-4-hydroxypentan-1-one;[5-[1-(3-fluorophenyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-(3-hydroxypyrrolidin-1-yl)methanone;[5-[1-(3-fluorophenyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-pyrrolidin-1-ylmethanone;[2-methyl-5-(1-phenylethylamino)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-pyrrolidin-1-ylmethanone
• PubChem CID: 159336754
• Molecular Formula: C111H118F4N30O8S6
• Molecular Weight: 2268.76 g/mol
• Exact Mass: 2266.80
• IUPAC Name: azetidin-1-yl-[5-[1-(3-fluorophenyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]methanone;azetidin-1-yl-[2-methyl-5-(1-pyridin-2-ylethylamino)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]methanone;1-[5-[1-(3-fluorophenyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-4-hydroxypentan-1-one;[5-[1-(3-fluorophenyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-(3-hydroxypyrrolidin-1-yl)methanone;[5-[1-(3-fluorophenyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-pyrrolidin-1-ylmethanone;[2-methyl-5-(1-phenylethylamino)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-pyrrolidin-1-ylmethanone
• SMILES: Cc1nc2nc(NC(C)c3cccc(F)c3)nc(C(=O)CCC(C)O)c2s1.Cc1nc2nc(NC(C)c3cccc(F)c3)nc(C(=O)N3CCC(O)C3)c2s1.Cc1nc2nc(NC(C)c3cccc(F)c3)nc(C(=O)N3CCC3)c2s1.Cc1nc2nc(NC(C)c3cccc(F)c3)nc(C(=O)N3CCCC3)c2s1.Cc1nc2nc(NC(C)c3ccccc3)nc(C(=O)N3CCCC3)c2s1.Cc1nc2nc(NC(C)c3ccccn3)nc(C(=O)N3CCC3)c2s1
• InChI: InChI=1S/C19H20FN5O2S.C19H20FN5OS.C19H21FN4O2S.C19H21N5OS.C18H18FN5OS.C17H18N6OS/c1-10(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(13-6-5-7-14(20)10-13)21-19-23-15(18(26)25-8-3-4-9-25)16-17(24-19)22-12(2)27-16;1-10(25)7-8-15(26)16-17-18(22-12(3)27-17)24-19(23-16)21-11(2)13-5-4-6-14(20)9-13;1-12(14-8-4-3-5-9-14)20-19-22-15(18(25)24-10-6-7-11-24)16-17(23-19)21-13(2)26-16;1-10(12-5-3-6-13(19)9-12)20-18-22-14(17(25)24-7-4-8-24)15-16(23-18)21-11(2)26-15;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/h3-5,8,10,14,26H,6-7,9H2,1-2H3,(H,21,23,24);5-7,10-11H,3-4,8-9H2,1-2H3,(H,21,23,24);4-6,9-11,25H,7-8H2,1-3H3,(H,21,23,24);3-5,8-9,12H,6-7,10-11H2,1-2H3,(H,20,22,23);3,5-6,9-10H,4,7-8H2,1-2H3,(H,20,22,23);3-4,6-7,10H,5,8-9H2,1-2H3,(H,19,21,22)
• InChIKey: LFQHXEAAWONGFR-UHFFFAOYSA-N
• XLogP: 21.07
• TPSA: 476.17 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 39
• Rotatable Bonds: 27
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2268.76
LogP ≤ 5	21.07
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	39

Frequently Asked Questions

What is the IUPAC name of azetidin-1-yl-[5-[1-(3-fluorophenyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]methanone;azetidin-1-yl-[2-methyl-5-(1-pyridin-2-ylethylamino)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]methanone;1-[5-[1-(3-fluorophenyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-4-hydroxypentan-1-one;[5-[1-(3-fluorophenyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-(3-hydroxypyrrolidin-1-yl)methanone;[5-[1-(3-fluorophenyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-pyrrolidin-1-ylmethanone;[2-methyl-5-(1-phenylethylamino)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-pyrrolidin-1-ylmethanone?

The IUPAC name of azetidin-1-yl-[5-[1-(3-fluorophenyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]methanone;azetidin-1-yl-[2-methyl-5-(1-pyridin-2-ylethylamino)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]methanone;1-[5-[1-(3-fluorophenyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-4-hydroxypentan-1-one;[5-[1-(3-fluorophenyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-(3-hydroxypyrrolidin-1-yl)methanone;[5-[1-(3-fluorophenyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-pyrrolidin-1-ylmethanone;[2-methyl-5-(1-phenylethylamino)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-pyrrolidin-1-ylmethanone (CID 159336754) is azetidin-1-yl-[5-[1-(3-fluorophenyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]methanone;azetidin-1-yl-[2-methyl-5-(1-pyridin-2-ylethylamino)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]methanone;1-[5-[1-(3-fluorophenyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-4-hydroxypentan-1-one;[5-[1-(3-fluorophenyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-(3-hydroxypyrrolidin-1-yl)methanone;[5-[1-(3-fluorophenyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-pyrrolidin-1-ylmethanone;[2-methyl-5-(1-phenylethylamino)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-pyrrolidin-1-ylmethanone.

What is the SMILES notation for azetidin-1-yl-[5-[1-(3-fluorophenyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]methanone;azetidin-1-yl-[2-methyl-5-(1-pyridin-2-ylethylamino)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]methanone;1-[5-[1-(3-fluorophenyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-4-hydroxypentan-1-one;[5-[1-(3-fluorophenyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-(3-hydroxypyrrolidin-1-yl)methanone;[5-[1-(3-fluorophenyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-pyrrolidin-1-ylmethanone;[2-methyl-5-(1-phenylethylamino)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-pyrrolidin-1-ylmethanone?

The canonical SMILES for azetidin-1-yl-[5-[1-(3-fluorophenyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]methanone;azetidin-1-yl-[2-methyl-5-(1-pyridin-2-ylethylamino)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]methanone;1-[5-[1-(3-fluorophenyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-4-hydroxypentan-1-one;[5-[1-(3-fluorophenyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-(3-hydroxypyrrolidin-1-yl)methanone;[5-[1-(3-fluorophenyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-pyrrolidin-1-ylmethanone;[2-methyl-5-(1-phenylethylamino)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-pyrrolidin-1-ylmethanone is Cc1nc2nc(NC(C)c3cccc(F)c3)nc(C(=O)CCC(C)O)c2s1.Cc1nc2nc(NC(C)c3cccc(F)c3)nc(C(=O)N3CCC(O)C3)c2s1.Cc1nc2nc(NC(C)c3cccc(F)c3)nc(C(=O)N3CCC3)c2s1.Cc1nc2nc(NC(C)c3cccc(F)c3)nc(C(=O)N3CCCC3)c2s1.Cc1nc2nc(NC(C)c3ccccc3)nc(C(=O)N3CCCC3)c2s1.Cc1nc2nc(NC(C)c3ccccn3)nc(C(=O)N3CCC3)c2s1.

What is the InChIKey of azetidin-1-yl-[5-[1-(3-fluorophenyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]methanone;azetidin-1-yl-[2-methyl-5-(1-pyridin-2-ylethylamino)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]methanone;1-[5-[1-(3-fluorophenyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-4-hydroxypentan-1-one;[5-[1-(3-fluorophenyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-(3-hydroxypyrrolidin-1-yl)methanone;[5-[1-(3-fluorophenyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-pyrrolidin-1-ylmethanone;[2-methyl-5-(1-phenylethylamino)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-pyrrolidin-1-ylmethanone?

The InChIKey is LFQHXEAAWONGFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5O2S.C19H20FN5OS.C19H21FN4O2S.C19H21N5OS.C18H18FN5OS.C17H18N6OS/c1-10(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(13-6-5-7-14(20)10-13)21-19-23-15(18(26)25-8-3-4-9-25)16-17(24-19)22-12(2)27-16;1-10(25)7-8-15(26)16-17-18(22-12(3)27-17)24-19(23-16)21-11(2)13-5-4-6-14(20)9-13;1-12(14-8-4-3-5-9-14)20-19-22-15(18(25)24-10-6-7-11-24)16-17(23-19)21-13(2)26-16;1-10(12-5-3-6-13(19)9-12)20-18-22-14(17(25)24-7-4-8-24)15-16(23-18)21-11(2)26-15;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/h3-5,8,10,14,26H,6-7,9H2,1-2H3,(H,21,23,24);5-7,10-11H,3-4,8-9H2,1-2H3,(H,21,23,24);4-6,9-11,25H,7-8H2,1-3H3,(H,21,23,24);3-5,8-9,12H,6-7,10-11H2,1-2H3,(H,20,22,23);3,5-6,9-10H,4,7-8H2,1-2H3,(H,20,22,23);3-4,6-7,10H,5,8-9H2,1-2H3,(H,19,21,22).

What are the key properties of azetidin-1-yl-[5-[1-(3-fluorophenyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]methanone;azetidin-1-yl-[2-methyl-5-(1-pyridin-2-ylethylamino)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]methanone;1-[5-[1-(3-fluorophenyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-4-hydroxypentan-1-one;[5-[1-(3-fluorophenyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-(3-hydroxypyrrolidin-1-yl)methanone;[5-[1-(3-fluorophenyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-pyrrolidin-1-ylmethanone;[2-methyl-5-(1-phenylethylamino)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-pyrrolidin-1-ylmethanone?

azetidin-1-yl-[5-[1-(3-fluorophenyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]methanone;azetidin-1-yl-[2-methyl-5-(1-pyridin-2-ylethylamino)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]methanone;1-[5-[1-(3-fluorophenyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-4-hydroxypentan-1-one;[5-[1-(3-fluorophenyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-(3-hydroxypyrrolidin-1-yl)methanone;[5-[1-(3-fluorophenyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-pyrrolidin-1-ylmethanone;[2-methyl-5-(1-phenylethylamino)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 2268.76 g/mol, XLogP of 21.07, 27 rotatable bonds, 8 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for azetidin-1-yl-[5-[1-(3-fluorophenyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]methanone;azetidin-1-yl-[2-methyl-5-(1-pyridin-2-ylethylamino)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]methanone;1-[5-[1-(3-fluorophenyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-4-hydroxypentan-1-one;[5-[1-(3-fluorophenyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-(3-hydroxypyrrolidin-1-yl)methanone;[5-[1-(3-fluorophenyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-pyrrolidin-1-ylmethanone;[2-methyl-5-(1-phenylethylamino)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 159336754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).