7-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-cyclopropyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-(3-methoxypropyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-(3-methylbutyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-(3,3,3-trifluoropropyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-chloro-2,3-dihydroindol-1-yl)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide

C99H110ClF3N30O6S5 — CID 158692812

About 7-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-cyclopropyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-(3-methoxypropyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-(3-methylbutyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-(3,3,3-trifluoropropyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-chloro-2,3-dihydroindol-1-yl)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide

7-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-cyclopropyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-(3-methoxypropyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-(3-methylbutyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-(3,3,3-trifluoropropyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-chloro-2,3-dihydroindol-1-yl)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide (PubChem CID 158692812) has the molecular formula C99H110ClF3N30O6S5 and a molecular weight of 2068.95 g/mol. Its IUPAC name is 7-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-cyclopropyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-(3-methoxypropyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-(3-methylbutyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-(3,3,3-trifluoropropyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-chloro-2,3-dihydroindol-1-yl)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide.

Molecular Properties

• Compound Name: 7-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-cyclopropyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-(3-methoxypropyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-(3-methylbutyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-(3,3,3-trifluoropropyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-chloro-2,3-dihydroindol-1-yl)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
• PubChem CID: 158692812
• Molecular Formula: C99H110ClF3N30O6S5
• Molecular Weight: 2068.95 g/mol
• Exact Mass: 2066.75
• IUPAC Name: 7-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-cyclopropyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-(3-methoxypropyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-(3-methylbutyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-(3,3,3-trifluoropropyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-chloro-2,3-dihydroindol-1-yl)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
• SMILES: CC(C)CCNC(=O)c1nc2c(N3CC(CCN)c4ccccc43)ncnc2s1.COCCCNC(=O)c1nc2c(N3CC(CCN)c4ccccc43)ncnc2s1.NCCC1CN(c2ncnc3sc(C(=O)NC4CC4)nc23)c2ccccc21.NCCC1CN(c2ncnc3sc(C(=O)NCCC(F)(F)F)nc23)c2ccccc21.O=C(NCC1CCNCC1)c1nc2c(N3CCc4cc(Cl)ccc43)ncnc2s1
• InChI: InChI=1S/C21H26N6OS.C20H21ClN6OS.C20H24N6O2S.C19H19F3N6OS.C19H20N6OS/c1-13(2)8-10-23-19(28)21-26-17-18(24-12-25-20(17)29-21)27-11-14(7-9-22)15-5-3-4-6-16(15)27;21-14-1-2-15-13(9-14)5-8-27(15)17-16-19(25-11-24-17)29-20(26-16)18(28)23-10-12-3-6-22-7-4-12;1-28-10-4-9-22-18(27)20-25-16-17(23-12-24-19(16)29-20)26-11-13(7-8-21)14-5-2-3-6-15(14)26;20-19(21,22)6-8-24-16(29)18-27-14-15(25-10-26-17(14)30-18)28-9-11(5-7-23)12-3-1-2-4-13(12)28;20-8-7-11-9-25(14-4-2-1-3-13(11)14)16-15-18(22-10-21-16)27-19(24-15)17(26)23-12-5-6-12/h3-6,12-14H,7-11,22H2,1-2H3,(H,23,28);1-2,9,11-12,22H,3-8,10H2,(H,23,28);2-3,5-6,12-13H,4,7-11,21H2,1H3,(H,22,27);1-4,10-11H,5-9,23H2,(H,24,29);1-4,10-12H,5-9,20H2,(H,23,26)
• InChIKey: IGOJEPNCEONWOE-UHFFFAOYSA-N
• XLogP: 14.96
• TPSA: 480.39 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 36
• Rotatable Bonds: 30
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2068.95
LogP ≤ 5	14.96
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	36

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-cyclopropyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-(3-methoxypropyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-(3-methylbutyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-(3,3,3-trifluoropropyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-chloro-2,3-dihydroindol-1-yl)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?

The IUPAC name of 7-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-cyclopropyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-(3-methoxypropyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-(3-methylbutyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-(3,3,3-trifluoropropyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-chloro-2,3-dihydroindol-1-yl)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide (CID 158692812) is 7-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-cyclopropyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-(3-methoxypropyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-(3-methylbutyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-(3,3,3-trifluoropropyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-chloro-2,3-dihydroindol-1-yl)-N-(piperidin-4-ylmethyl)-[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-cyclopropyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-(3-methoxypropyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-(3-methylbutyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-(3,3,3-trifluoropropyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-chloro-2,3-dihydroindol-1-yl)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?

The canonical SMILES for 7-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-cyclopropyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-(3-methoxypropyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-(3-methylbutyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-(3,3,3-trifluoropropyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-chloro-2,3-dihydroindol-1-yl)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide is CC(C)CCNC(=O)c1nc2c(N3CC(CCN)c4ccccc43)ncnc2s1.COCCCNC(=O)c1nc2c(N3CC(CCN)c4ccccc43)ncnc2s1.NCCC1CN(c2ncnc3sc(C(=O)NC4CC4)nc23)c2ccccc21.NCCC1CN(c2ncnc3sc(C(=O)NCCC(F)(F)F)nc23)c2ccccc21.O=C(NCC1CCNCC1)c1nc2c(N3CCc4cc(Cl)ccc43)ncnc2s1.

What is the InChIKey of 7-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-cyclopropyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-(3-methoxypropyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-(3-methylbutyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-(3,3,3-trifluoropropyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-chloro-2,3-dihydroindol-1-yl)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?

The InChIKey is IGOJEPNCEONWOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6OS.C20H21ClN6OS.C20H24N6O2S.C19H19F3N6OS.C19H20N6OS/c1-13(2)8-10-23-19(28)21-26-17-18(24-12-25-20(17)29-21)27-11-14(7-9-22)15-5-3-4-6-16(15)27;21-14-1-2-15-13(9-14)5-8-27(15)17-16-19(25-11-24-17)29-20(26-16)18(28)23-10-12-3-6-22-7-4-12;1-28-10-4-9-22-18(27)20-25-16-17(23-12-24-19(16)29-20)26-11-13(7-8-21)14-5-2-3-6-15(14)26;20-19(21,22)6-8-24-16(29)18-27-14-15(25-10-26-17(14)30-18)28-9-11(5-7-23)12-3-1-2-4-13(12)28;20-8-7-11-9-25(14-4-2-1-3-13(11)14)16-15-18(22-10-21-16)27-19(24-15)17(26)23-12-5-6-12/h3-6,12-14H,7-11,22H2,1-2H3,(H,23,28);1-2,9,11-12,22H,3-8,10H2,(H,23,28);2-3,5-6,12-13H,4,7-11,21H2,1H3,(H,22,27);1-4,10-11H,5-9,23H2,(H,24,29);1-4,10-12H,5-9,20H2,(H,23,26).

What are the key properties of 7-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-cyclopropyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-(3-methoxypropyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-(3-methylbutyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-(3,3,3-trifluoropropyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-chloro-2,3-dihydroindol-1-yl)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?

7-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-cyclopropyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-(3-methoxypropyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-(3-methylbutyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-(3,3,3-trifluoropropyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-chloro-2,3-dihydroindol-1-yl)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide has a molecular weight of 2068.95 g/mol, XLogP of 14.96, 30 rotatable bonds, 10 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-cyclopropyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-(3-methoxypropyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-(3-methylbutyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-(3,3,3-trifluoropropyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-chloro-2,3-dihydroindol-1-yl)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide is sourced from PubChem (CID 158692812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).