7-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-hydroxy-2,3-dihydroindol-1-yl)-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[3-(2-hydroxyethyl)-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[3-(2-hydroxyethyl)-3-methyl-2H-indol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-(oxan-4-yl)-7-[5-(trifluoromethyl)-2,3-dihydroindol-1-yl]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide

C103H109F3N26O13S5 — CID 158008173

About 7-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-hydroxy-2,3-dihydroindol-1-yl)-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[3-(2-hydroxyethyl)-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[3-(2-hydroxyethyl)-3-methyl-2H-indol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;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;7-(5-hydroxy-2,3-dihydroindol-1-yl)-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[3-(2-hydroxyethyl)-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[3-(2-hydroxyethyl)-3-methyl-2H-indol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-(oxan-4-yl)-7-[5-(trifluoromethyl)-2,3-dihydroindol-1-yl]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide (PubChem CID 158008173) has the molecular formula C103H109F3N26O13S5 and a molecular weight of 2136.50 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;7-(5-hydroxy-2,3-dihydroindol-1-yl)-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[3-(2-hydroxyethyl)-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[3-(2-hydroxyethyl)-3-methyl-2H-indol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;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;7-(5-hydroxy-2,3-dihydroindol-1-yl)-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[3-(2-hydroxyethyl)-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[3-(2-hydroxyethyl)-3-methyl-2H-indol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-(oxan-4-yl)-7-[5-(trifluoromethyl)-2,3-dihydroindol-1-yl]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
• PubChem CID: 158008173
• Molecular Formula: C103H109F3N26O13S5
• Molecular Weight: 2136.50 g/mol
• Exact Mass: 2134.72
• IUPAC Name: 7-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-hydroxy-2,3-dihydroindol-1-yl)-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[3-(2-hydroxyethyl)-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[3-(2-hydroxyethyl)-3-methyl-2H-indol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-(oxan-4-yl)-7-[5-(trifluoromethyl)-2,3-dihydroindol-1-yl]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
• SMILES: CC1(CCO)CN(c2ncnc3sc(C(=O)NC4CCOCC4)nc23)c2ccccc21.NCCC1CN(c2ncnc3sc(C(=O)NC4CCOCC4)nc23)c2ccccc21.O=C(NC1CCOCC1)c1nc2c(N3CC(CCO)c4ccccc43)ncnc2s1.O=C(NC1CCOCC1)c1nc2c(N3CCc4cc(C(F)(F)F)ccc43)ncnc2s1.O=C(NC1CCOCC1)c1nc2c(N3CCc4cc(O)ccc43)ncnc2s1
• InChI: InChI=1S/C22H25N5O3S.C21H24N6O2S.C21H23N5O3S.C20H18F3N5O2S.C19H19N5O3S/c1-22(8-9-28)12-27(16-5-3-2-4-15(16)22)18-17-20(24-13-23-18)31-21(26-17)19(29)25-14-6-10-30-11-7-14;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;27-8-5-13-11-26(16-4-2-1-3-15(13)16)18-17-20(23-12-22-18)30-21(25-17)19(28)24-14-6-9-29-10-7-14;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;25-13-1-2-14-11(9-13)3-6-24(14)16-15-18(21-10-20-16)28-19(23-15)17(26)22-12-4-7-27-8-5-12/h2-5,13-14,28H,6-12H2,1H3,(H,25,29);1-4,12-14H,5-11,22H2,(H,25,28);1-4,12-14,27H,5-11H2,(H,24,28);1-2,9-10,13H,3-8H2,(H,26,29);1-2,9-10,12,25H,3-8H2,(H,22,26)
• InChIKey: FEOAPGIVQDLNHH-UHFFFAOYSA-N
• XLogP: 14.08
• TPSA: 487.91 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 39
• Rotatable Bonds: 21
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2136.50
LogP ≤ 5	14.08
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	39

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;7-(5-hydroxy-2,3-dihydroindol-1-yl)-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[3-(2-hydroxyethyl)-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[3-(2-hydroxyethyl)-3-methyl-2H-indol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;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;7-(5-hydroxy-2,3-dihydroindol-1-yl)-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[3-(2-hydroxyethyl)-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[3-(2-hydroxyethyl)-3-methyl-2H-indol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-(oxan-4-yl)-7-[5-(trifluoromethyl)-2,3-dihydroindol-1-yl]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide (CID 158008173) is 7-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-hydroxy-2,3-dihydroindol-1-yl)-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[3-(2-hydroxyethyl)-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[3-(2-hydroxyethyl)-3-methyl-2H-indol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;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;7-(5-hydroxy-2,3-dihydroindol-1-yl)-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[3-(2-hydroxyethyl)-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[3-(2-hydroxyethyl)-3-methyl-2H-indol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;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;7-(5-hydroxy-2,3-dihydroindol-1-yl)-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[3-(2-hydroxyethyl)-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[3-(2-hydroxyethyl)-3-methyl-2H-indol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-(oxan-4-yl)-7-[5-(trifluoromethyl)-2,3-dihydroindol-1-yl]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide is CC1(CCO)CN(c2ncnc3sc(C(=O)NC4CCOCC4)nc23)c2ccccc21.NCCC1CN(c2ncnc3sc(C(=O)NC4CCOCC4)nc23)c2ccccc21.O=C(NC1CCOCC1)c1nc2c(N3CC(CCO)c4ccccc43)ncnc2s1.O=C(NC1CCOCC1)c1nc2c(N3CCc4cc(C(F)(F)F)ccc43)ncnc2s1.O=C(NC1CCOCC1)c1nc2c(N3CCc4cc(O)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;7-(5-hydroxy-2,3-dihydroindol-1-yl)-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[3-(2-hydroxyethyl)-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[3-(2-hydroxyethyl)-3-methyl-2H-indol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-(oxan-4-yl)-7-[5-(trifluoromethyl)-2,3-dihydroindol-1-yl]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?

The InChIKey is FEOAPGIVQDLNHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O3S.C21H24N6O2S.C21H23N5O3S.C20H18F3N5O2S.C19H19N5O3S/c1-22(8-9-28)12-27(16-5-3-2-4-15(16)22)18-17-20(24-13-23-18)31-21(26-17)19(29)25-14-6-10-30-11-7-14;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;27-8-5-13-11-26(16-4-2-1-3-15(13)16)18-17-20(23-12-22-18)30-21(25-17)19(28)24-14-6-9-29-10-7-14;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;25-13-1-2-14-11(9-13)3-6-24(14)16-15-18(21-10-20-16)28-19(23-15)17(26)22-12-4-7-27-8-5-12/h2-5,13-14,28H,6-12H2,1H3,(H,25,29);1-4,12-14H,5-11,22H2,(H,25,28);1-4,12-14,27H,5-11H2,(H,24,28);1-2,9-10,13H,3-8H2,(H,26,29);1-2,9-10,12,25H,3-8H2,(H,22,26).

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;7-(5-hydroxy-2,3-dihydroindol-1-yl)-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[3-(2-hydroxyethyl)-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[3-(2-hydroxyethyl)-3-methyl-2H-indol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;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;7-(5-hydroxy-2,3-dihydroindol-1-yl)-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[3-(2-hydroxyethyl)-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[3-(2-hydroxyethyl)-3-methyl-2H-indol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;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 2136.50 g/mol, XLogP of 14.08, 21 rotatable bonds, 9 hydrogen bond donors, and 39 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;7-(5-hydroxy-2,3-dihydroindol-1-yl)-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[3-(2-hydroxyethyl)-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[3-(2-hydroxyethyl)-3-methyl-2H-indol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;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 158008173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).