7-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;2-(azetidin-3-yl)-1-[7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]ethanone;7-(2,3-dihydroindol-1-yl)-N-[3-(dimethylamino)propyl]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;1-[7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]heptan-1-one;N-(oxan-4-yl)-7-[5-(trifluoromethyl)-2,3-dihydroindol-1-yl]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide

C100H109F5N26O9S5 — CID 160652633

About 7-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;2-(azetidin-3-yl)-1-[7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]ethanone;7-(2,3-dihydroindol-1-yl)-N-[3-(dimethylamino)propyl]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;1-[7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]heptan-1-one;N-(oxan-4-yl)-7-[5-(trifluoromethyl)-2,3-dihydroindol-1-yl]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide

7-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;2-(azetidin-3-yl)-1-[7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]ethanone;7-(2,3-dihydroindol-1-yl)-N-[3-(dimethylamino)propyl]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;1-[7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]heptan-1-one;N-(oxan-4-yl)-7-[5-(trifluoromethyl)-2,3-dihydroindol-1-yl]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide (PubChem CID 160652633) has the molecular formula C100H109F5N26O9S5 and a molecular weight of 2074.47 g/mol. Its IUPAC name is 7-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;2-(azetidin-3-yl)-1-[7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]ethanone;7-(2,3-dihydroindol-1-yl)-N-[3-(dimethylamino)propyl]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;1-[7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]heptan-1-one;N-(oxan-4-yl)-7-[5-(trifluoromethyl)-2,3-dihydroindol-1-yl]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide.

Molecular Properties

• Compound Name: 7-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;2-(azetidin-3-yl)-1-[7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]ethanone;7-(2,3-dihydroindol-1-yl)-N-[3-(dimethylamino)propyl]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;1-[7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]heptan-1-one;N-(oxan-4-yl)-7-[5-(trifluoromethyl)-2,3-dihydroindol-1-yl]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
• PubChem CID: 160652633
• Molecular Formula: C100H109F5N26O9S5
• Molecular Weight: 2074.47 g/mol
• Exact Mass: 2072.74
• IUPAC Name: 7-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;2-(azetidin-3-yl)-1-[7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]ethanone;7-(2,3-dihydroindol-1-yl)-N-[3-(dimethylamino)propyl]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;1-[7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]heptan-1-one;N-(oxan-4-yl)-7-[5-(trifluoromethyl)-2,3-dihydroindol-1-yl]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
• SMILES: CC(C)Oc1cc(F)ccc1Nc1ncnc2sc(C(=O)CC3CNC3)nc12.CCCCCCC(=O)c1nc2c(Nc3ccc(F)cc3OC(C)C)ncnc2s1.CN(C)CCCNC(=O)c1nc2c(N3CCc4ccccc43)ncnc2s1.NCCC1CN(c2ncnc3sc(C(=O)NC4CCOCC4)nc23)c2ccccc21.O=C(NC1CCOCC1)c1nc2c(N3CCc4cc(C(F)(F)F)ccc43)ncnc2s1
• InChI: InChI=1S/C21H25FN4O2S.C21H24N6O2S.C20H18F3N5O2S.C19H20FN5O2S.C19H22N6OS/c1-4-5-6-7-8-16(27)20-26-18-19(23-12-24-21(18)29-20)25-15-10-9-14(22)11-17(15)28-13(2)3;22-8-5-13-11-27(16-4-2-1-3-15(13)16)18-17-20(24-12-23-18)30-21(26-17)19(28)25-14-6-9-29-10-7-14;21-20(22,23)12-1-2-14-11(9-12)3-6-28(14)16-15-18(25-10-24-16)31-19(27-15)17(29)26-13-4-7-30-8-5-13;1-10(2)27-15-6-12(20)3-4-13(15)24-17-16-19(23-9-22-17)28-18(25-16)14(26)5-11-7-21-8-11;1-24(2)10-5-9-20-17(26)19-23-15-16(21-12-22-18(15)27-19)25-11-8-13-6-3-4-7-14(13)25/h9-13H,4-8H2,1-3H3,(H,23,24,25);1-4,12-14H,5-11,22H2,(H,25,28);1-2,9-10,13H,3-8H2,(H,26,29);3-4,6,9-11,21H,5,7-8H2,1-2H3,(H,22,23,24);3-4,6-7,12H,5,8-11H2,1-2H3,(H,20,26)
• InChIKey: RKPYLGGNFURLHL-UHFFFAOYSA-N
• XLogP: 18.21
• TPSA: 426.78 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 37
• Rotatable Bonds: 31
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2074.47
LogP ≤ 5	18.21
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;2-(azetidin-3-yl)-1-[7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]ethanone;7-(2,3-dihydroindol-1-yl)-N-[3-(dimethylamino)propyl]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;1-[7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]heptan-1-one;N-(oxan-4-yl)-7-[5-(trifluoromethyl)-2,3-dihydroindol-1-yl]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?

The IUPAC name of 7-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;2-(azetidin-3-yl)-1-[7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]ethanone;7-(2,3-dihydroindol-1-yl)-N-[3-(dimethylamino)propyl]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;1-[7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]heptan-1-one;N-(oxan-4-yl)-7-[5-(trifluoromethyl)-2,3-dihydroindol-1-yl]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide (CID 160652633) is 7-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;2-(azetidin-3-yl)-1-[7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]ethanone;7-(2,3-dihydroindol-1-yl)-N-[3-(dimethylamino)propyl]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;1-[7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]heptan-1-one;N-(oxan-4-yl)-7-[5-(trifluoromethyl)-2,3-dihydroindol-1-yl]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide.

What is the SMILES notation for 7-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;2-(azetidin-3-yl)-1-[7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]ethanone;7-(2,3-dihydroindol-1-yl)-N-[3-(dimethylamino)propyl]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;1-[7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]heptan-1-one;N-(oxan-4-yl)-7-[5-(trifluoromethyl)-2,3-dihydroindol-1-yl]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?

The canonical SMILES for 7-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;2-(azetidin-3-yl)-1-[7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]ethanone;7-(2,3-dihydroindol-1-yl)-N-[3-(dimethylamino)propyl]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;1-[7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]heptan-1-one;N-(oxan-4-yl)-7-[5-(trifluoromethyl)-2,3-dihydroindol-1-yl]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide is CC(C)Oc1cc(F)ccc1Nc1ncnc2sc(C(=O)CC3CNC3)nc12.CCCCCCC(=O)c1nc2c(Nc3ccc(F)cc3OC(C)C)ncnc2s1.CN(C)CCCNC(=O)c1nc2c(N3CCc4ccccc43)ncnc2s1.NCCC1CN(c2ncnc3sc(C(=O)NC4CCOCC4)nc23)c2ccccc21.O=C(NC1CCOCC1)c1nc2c(N3CCc4cc(C(F)(F)F)ccc43)ncnc2s1.

What is the InChIKey of 7-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;2-(azetidin-3-yl)-1-[7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]ethanone;7-(2,3-dihydroindol-1-yl)-N-[3-(dimethylamino)propyl]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;1-[7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]heptan-1-one;N-(oxan-4-yl)-7-[5-(trifluoromethyl)-2,3-dihydroindol-1-yl]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?

The InChIKey is RKPYLGGNFURLHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN4O2S.C21H24N6O2S.C20H18F3N5O2S.C19H20FN5O2S.C19H22N6OS/c1-4-5-6-7-8-16(27)20-26-18-19(23-12-24-21(18)29-20)25-15-10-9-14(22)11-17(15)28-13(2)3;22-8-5-13-11-27(16-4-2-1-3-15(13)16)18-17-20(24-12-23-18)30-21(26-17)19(28)25-14-6-9-29-10-7-14;21-20(22,23)12-1-2-14-11(9-12)3-6-28(14)16-15-18(25-10-24-16)31-19(27-15)17(29)26-13-4-7-30-8-5-13;1-10(2)27-15-6-12(20)3-4-13(15)24-17-16-19(23-9-22-17)28-18(25-16)14(26)5-11-7-21-8-11;1-24(2)10-5-9-20-17(26)19-23-15-16(21-12-22-18(15)27-19)25-11-8-13-6-3-4-7-14(13)25/h9-13H,4-8H2,1-3H3,(H,23,24,25);1-4,12-14H,5-11,22H2,(H,25,28);1-2,9-10,13H,3-8H2,(H,26,29);3-4,6,9-11,21H,5,7-8H2,1-2H3,(H,22,23,24);3-4,6-7,12H,5,8-11H2,1-2H3,(H,20,26).

What are the key properties of 7-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;2-(azetidin-3-yl)-1-[7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]ethanone;7-(2,3-dihydroindol-1-yl)-N-[3-(dimethylamino)propyl]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;1-[7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]heptan-1-one;N-(oxan-4-yl)-7-[5-(trifluoromethyl)-2,3-dihydroindol-1-yl]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?

7-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;2-(azetidin-3-yl)-1-[7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]ethanone;7-(2,3-dihydroindol-1-yl)-N-[3-(dimethylamino)propyl]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;1-[7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]heptan-1-one;N-(oxan-4-yl)-7-[5-(trifluoromethyl)-2,3-dihydroindol-1-yl]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide has a molecular weight of 2074.47 g/mol, XLogP of 18.21, 31 rotatable bonds, 7 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;2-(azetidin-3-yl)-1-[7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]ethanone;7-(2,3-dihydroindol-1-yl)-N-[3-(dimethylamino)propyl]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;1-[7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]heptan-1-one;N-(oxan-4-yl)-7-[5-(trifluoromethyl)-2,3-dihydroindol-1-yl]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide is sourced from PubChem (CID 160652633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).