7-(3-butyl-3-methyl-2H-indol-1-yl)-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;[4-[(dimethylamino)methyl]piperidin-1-yl]-[7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]methanone;2-(1,1-dioxothian-4-yl)-1-[7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]ethanone;1-[7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]-3-(1-methylpiperidin-4-yl)propan-1-one;1-[7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]-2-(oxan-4-yl)ethanone;7-indol-1-yl-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide

C131H149F4N29O15S7 — CID 160764911

About 7-(3-butyl-3-methyl-2H-indol-1-yl)-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;[4-[(dimethylamino)methyl]piperidin-1-yl]-[7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]methanone;2-(1,1-dioxothian-4-yl)-1-[7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]ethanone;1-[7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]-3-(1-methylpiperidin-4-yl)propan-1-one;1-[7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]-2-(oxan-4-yl)ethanone;7-indol-1-yl-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide

7-(3-butyl-3-methyl-2H-indol-1-yl)-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;[4-[(dimethylamino)methyl]piperidin-1-yl]-[7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]methanone;2-(1,1-dioxothian-4-yl)-1-[7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]ethanone;1-[7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]-3-(1-methylpiperidin-4-yl)propan-1-one;1-[7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]-2-(oxan-4-yl)ethanone;7-indol-1-yl-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide (PubChem CID 160764911) has the molecular formula C131H149F4N29O15S7 and a molecular weight of 2670.28 g/mol. Its IUPAC name is 7-(3-butyl-3-methyl-2H-indol-1-yl)-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;[4-[(dimethylamino)methyl]piperidin-1-yl]-[7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]methanone;2-(1,1-dioxothian-4-yl)-1-[7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]ethanone;1-[7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]-3-(1-methylpiperidin-4-yl)propan-1-one;1-[7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]-2-(oxan-4-yl)ethanone;7-indol-1-yl-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide.

Molecular Properties

• Compound Name: 7-(3-butyl-3-methyl-2H-indol-1-yl)-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;[4-[(dimethylamino)methyl]piperidin-1-yl]-[7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]methanone;2-(1,1-dioxothian-4-yl)-1-[7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]ethanone;1-[7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]-3-(1-methylpiperidin-4-yl)propan-1-one;1-[7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]-2-(oxan-4-yl)ethanone;7-indol-1-yl-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
• PubChem CID: 160764911
• Molecular Formula: C131H149F4N29O15S7
• Molecular Weight: 2670.28 g/mol
• Exact Mass: 2667.98
• IUPAC Name: 7-(3-butyl-3-methyl-2H-indol-1-yl)-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;[4-[(dimethylamino)methyl]piperidin-1-yl]-[7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]methanone;2-(1,1-dioxothian-4-yl)-1-[7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]ethanone;1-[7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]-3-(1-methylpiperidin-4-yl)propan-1-one;1-[7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]-2-(oxan-4-yl)ethanone;7-indol-1-yl-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
• SMILES: CC(C)Oc1cc(F)ccc1Nc1ncnc2sc(C(=O)CC3CCOCC3)nc12.CC(C)Oc1cc(F)ccc1Nc1ncnc2sc(C(=O)CC3CCS(=O)(=O)CC3)nc12.CC(C)Oc1cc(F)ccc1Nc1ncnc2sc(C(=O)CCC3CCN(C)CC3)nc12.CC(C)Oc1cc(F)ccc1Nc1ncnc2sc(C(=O)N3CCC(CN(C)C)CC3)nc12.CCCCC1(C)CN(c2ncnc3sc(C(=O)NC4CCOCC4)nc23)c2ccccc21.O=C(NC1CCOCC1)c1nc2c(-n3ccc4ccccc43)ncnc2s1
• InChI: InChI=1S/C24H29N5O2S.C23H29FN6O2S.C23H28FN5O2S.C21H23FN4O4S2.C21H23FN4O3S.C19H17N5O2S/c1-3-4-11-24(2)14-29(18-8-6-5-7-17(18)24)20-19-22(26-15-25-20)32-23(28-19)21(30)27-16-9-12-31-13-10-16;1-14(2)32-18-11-16(24)5-6-17(18)27-20-19-21(26-13-25-20)33-22(28-19)23(31)30-9-7-15(8-10-30)12-29(3)4;1-14(2)31-19-12-16(24)5-6-17(19)27-21-20-23(26-13-25-21)32-22(28-20)18(30)7-4-15-8-10-29(3)11-9-15;1-12(2)30-17-10-14(22)3-4-15(17)25-19-18-21(24-11-23-19)31-20(26-18)16(27)9-13-5-7-32(28,29)8-6-13;1-12(2)29-17-10-14(22)3-4-15(17)25-19-18-21(24-11-23-19)30-20(26-18)16(27)9-13-5-7-28-8-6-13;25-17(22-13-6-9-26-10-7-13)19-23-15-16(20-11-21-18(15)27-19)24-8-5-12-3-1-2-4-14(12)24/h5-8,15-16H,3-4,9-14H2,1-2H3,(H,27,30);5-6,11,13-15H,7-10,12H2,1-4H3,(H,25,26,27);5-6,12-15H,4,7-11H2,1-3H3,(H,25,26,27);3-4,10-13H,5-9H2,1-2H3,(H,23,24,25);3-4,10-13H,5-9H2,1-2H3,(H,23,24,25);1-5,8,11,13H,6-7,9-10H2,(H,22,25)
• InChIKey: RYOAHSZPRXFFGX-UHFFFAOYSA-N
• XLogP: 25.67
• TPSA: 523.26 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 47
• Rotatable Bonds: 38
• Heavy Atoms: 186
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2670.28
LogP ≤ 5	25.67
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	47

Frequently Asked Questions

What is the IUPAC name of 7-(3-butyl-3-methyl-2H-indol-1-yl)-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;[4-[(dimethylamino)methyl]piperidin-1-yl]-[7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]methanone;2-(1,1-dioxothian-4-yl)-1-[7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]ethanone;1-[7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]-3-(1-methylpiperidin-4-yl)propan-1-one;1-[7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]-2-(oxan-4-yl)ethanone;7-indol-1-yl-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?

The IUPAC name of 7-(3-butyl-3-methyl-2H-indol-1-yl)-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;[4-[(dimethylamino)methyl]piperidin-1-yl]-[7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]methanone;2-(1,1-dioxothian-4-yl)-1-[7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]ethanone;1-[7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]-3-(1-methylpiperidin-4-yl)propan-1-one;1-[7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]-2-(oxan-4-yl)ethanone;7-indol-1-yl-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide (CID 160764911) is 7-(3-butyl-3-methyl-2H-indol-1-yl)-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;[4-[(dimethylamino)methyl]piperidin-1-yl]-[7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]methanone;2-(1,1-dioxothian-4-yl)-1-[7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]ethanone;1-[7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]-3-(1-methylpiperidin-4-yl)propan-1-one;1-[7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]-2-(oxan-4-yl)ethanone;7-indol-1-yl-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide.

What is the SMILES notation for 7-(3-butyl-3-methyl-2H-indol-1-yl)-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;[4-[(dimethylamino)methyl]piperidin-1-yl]-[7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]methanone;2-(1,1-dioxothian-4-yl)-1-[7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]ethanone;1-[7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]-3-(1-methylpiperidin-4-yl)propan-1-one;1-[7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]-2-(oxan-4-yl)ethanone;7-indol-1-yl-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?

The canonical SMILES for 7-(3-butyl-3-methyl-2H-indol-1-yl)-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;[4-[(dimethylamino)methyl]piperidin-1-yl]-[7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]methanone;2-(1,1-dioxothian-4-yl)-1-[7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]ethanone;1-[7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]-3-(1-methylpiperidin-4-yl)propan-1-one;1-[7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]-2-(oxan-4-yl)ethanone;7-indol-1-yl-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide is CC(C)Oc1cc(F)ccc1Nc1ncnc2sc(C(=O)CC3CCOCC3)nc12.CC(C)Oc1cc(F)ccc1Nc1ncnc2sc(C(=O)CC3CCS(=O)(=O)CC3)nc12.CC(C)Oc1cc(F)ccc1Nc1ncnc2sc(C(=O)CCC3CCN(C)CC3)nc12.CC(C)Oc1cc(F)ccc1Nc1ncnc2sc(C(=O)N3CCC(CN(C)C)CC3)nc12.CCCCC1(C)CN(c2ncnc3sc(C(=O)NC4CCOCC4)nc23)c2ccccc21.O=C(NC1CCOCC1)c1nc2c(-n3ccc4ccccc43)ncnc2s1.

What is the InChIKey of 7-(3-butyl-3-methyl-2H-indol-1-yl)-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;[4-[(dimethylamino)methyl]piperidin-1-yl]-[7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]methanone;2-(1,1-dioxothian-4-yl)-1-[7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]ethanone;1-[7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]-3-(1-methylpiperidin-4-yl)propan-1-one;1-[7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]-2-(oxan-4-yl)ethanone;7-indol-1-yl-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?

The InChIKey is RYOAHSZPRXFFGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O2S.C23H29FN6O2S.C23H28FN5O2S.C21H23FN4O4S2.C21H23FN4O3S.C19H17N5O2S/c1-3-4-11-24(2)14-29(18-8-6-5-7-17(18)24)20-19-22(26-15-25-20)32-23(28-19)21(30)27-16-9-12-31-13-10-16;1-14(2)32-18-11-16(24)5-6-17(18)27-20-19-21(26-13-25-20)33-22(28-19)23(31)30-9-7-15(8-10-30)12-29(3)4;1-14(2)31-19-12-16(24)5-6-17(19)27-21-20-23(26-13-25-21)32-22(28-20)18(30)7-4-15-8-10-29(3)11-9-15;1-12(2)30-17-10-14(22)3-4-15(17)25-19-18-21(24-11-23-19)31-20(26-18)16(27)9-13-5-7-32(28,29)8-6-13;1-12(2)29-17-10-14(22)3-4-15(17)25-19-18-21(24-11-23-19)30-20(26-18)16(27)9-13-5-7-28-8-6-13;25-17(22-13-6-9-26-10-7-13)19-23-15-16(20-11-21-18(15)27-19)24-8-5-12-3-1-2-4-14(12)24/h5-8,15-16H,3-4,9-14H2,1-2H3,(H,27,30);5-6,11,13-15H,7-10,12H2,1-4H3,(H,25,26,27);5-6,12-15H,4,7-11H2,1-3H3,(H,25,26,27);3-4,10-13H,5-9H2,1-2H3,(H,23,24,25);3-4,10-13H,5-9H2,1-2H3,(H,23,24,25);1-5,8,11,13H,6-7,9-10H2,(H,22,25).

What are the key properties of 7-(3-butyl-3-methyl-2H-indol-1-yl)-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;[4-[(dimethylamino)methyl]piperidin-1-yl]-[7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]methanone;2-(1,1-dioxothian-4-yl)-1-[7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]ethanone;1-[7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]-3-(1-methylpiperidin-4-yl)propan-1-one;1-[7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]-2-(oxan-4-yl)ethanone;7-indol-1-yl-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?

7-(3-butyl-3-methyl-2H-indol-1-yl)-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;[4-[(dimethylamino)methyl]piperidin-1-yl]-[7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]methanone;2-(1,1-dioxothian-4-yl)-1-[7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]ethanone;1-[7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]-3-(1-methylpiperidin-4-yl)propan-1-one;1-[7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]-2-(oxan-4-yl)ethanone;7-indol-1-yl-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide has a molecular weight of 2670.28 g/mol, XLogP of 25.67, 38 rotatable bonds, 6 hydrogen bond donors, and 47 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(3-butyl-3-methyl-2H-indol-1-yl)-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;[4-[(dimethylamino)methyl]piperidin-1-yl]-[7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]methanone;2-(1,1-dioxothian-4-yl)-1-[7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]ethanone;1-[7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]-3-(1-methylpiperidin-4-yl)propan-1-one;1-[7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]-2-(oxan-4-yl)ethanone;7-indol-1-yl-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide is sourced from PubChem (CID 160764911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).