N-butyl-7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-[2-(dimethylamino)ethyl]-7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N,N-dimethyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N-[3-(methylamino)propyl]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[3-[2-(4-methylpiperazin-1-yl)ethyl]-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide

C96H103F4N29O6S5 — CID 157253943

About N-butyl-7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-[2-(dimethylamino)ethyl]-7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N,N-dimethyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N-[3-(methylamino)propyl]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[3-[2-(4-methylpiperazin-1-yl)ethyl]-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide

N-butyl-7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-[2-(dimethylamino)ethyl]-7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N,N-dimethyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N-[3-(methylamino)propyl]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[3-[2-(4-methylpiperazin-1-yl)ethyl]-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide (PubChem CID 157253943) has the molecular formula C96H103F4N29O6S5 and a molecular weight of 1995.40 g/mol. Its IUPAC name is N-butyl-7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-[2-(dimethylamino)ethyl]-7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N,N-dimethyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N-[3-(methylamino)propyl]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[3-[2-(4-methylpiperazin-1-yl)ethyl]-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide.

Molecular Properties

• Compound Name: N-butyl-7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-[2-(dimethylamino)ethyl]-7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N,N-dimethyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N-[3-(methylamino)propyl]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[3-[2-(4-methylpiperazin-1-yl)ethyl]-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
• PubChem CID: 157253943
• Molecular Formula: C96H103F4N29O6S5
• Molecular Weight: 1995.40 g/mol
• Exact Mass: 1993.72
• IUPAC Name: N-butyl-7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-[2-(dimethylamino)ethyl]-7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N,N-dimethyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N-[3-(methylamino)propyl]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[3-[2-(4-methylpiperazin-1-yl)ethyl]-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
• SMILES: CCCCNC(=O)c1nc2c(N3CCc4cc(F)ccc43)ncnc2s1.CN(C)C(=O)c1nc2c(N3CCc4cc(F)ccc43)ncnc2s1.CN(C)CCNC(=O)c1nc2c(N3CCc4cc(F)ccc43)ncnc2s1.CN1CCN(CCC2CN(c3ncnc4sc(C(=O)NC5CCOCC5)nc34)c3ccccc32)CC1.CNCCCNC(=O)c1nc2c(N3CCc4cc(F)ccc43)ncnc2s1
• InChI: InChI=1S/C26H33N7O2S.2C18H19FN6OS.C18H18FN5OS.C16H14FN5OS/c1-31-10-12-32(13-11-31)9-6-18-16-33(21-5-3-2-4-20(18)21)23-22-25(28-17-27-23)36-26(30-22)24(34)29-19-7-14-35-15-8-19;1-24(2)8-6-20-16(26)18-23-14-15(21-10-22-17(14)27-18)25-7-5-11-9-12(19)3-4-13(11)25;1-20-6-2-7-21-16(26)18-24-14-15(22-10-23-17(14)27-18)25-8-5-11-9-12(19)3-4-13(11)25;1-2-3-7-20-16(25)18-23-14-15(21-10-22-17(14)26-18)24-8-6-11-9-12(19)4-5-13(11)24;1-21(2)16(23)15-20-12-13(18-8-19-14(12)24-15)22-6-5-9-7-10(17)3-4-11(9)22/h2-5,17-19H,6-16H2,1H3,(H,29,34);3-4,9-10H,5-8H2,1-2H3,(H,20,26);3-4,9-10,20H,2,5-8H2,1H3,(H,21,26);4-5,9-10H,2-3,6-8H2,1H3,(H,20,25);3-4,7-8H,5-6H2,1-2H3
• InChIKey: AWQWIODQQNLDNH-UHFFFAOYSA-N
• XLogP: 13.41
• TPSA: 377.24 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 35
• Rotatable Bonds: 24
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1995.40
LogP ≤ 5	13.41
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-butyl-7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-[2-(dimethylamino)ethyl]-7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N,N-dimethyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N-[3-(methylamino)propyl]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[3-[2-(4-methylpiperazin-1-yl)ethyl]-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?

The IUPAC name of N-butyl-7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-[2-(dimethylamino)ethyl]-7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N,N-dimethyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N-[3-(methylamino)propyl]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[3-[2-(4-methylpiperazin-1-yl)ethyl]-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide (CID 157253943) is N-butyl-7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-[2-(dimethylamino)ethyl]-7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N,N-dimethyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N-[3-(methylamino)propyl]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[3-[2-(4-methylpiperazin-1-yl)ethyl]-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide.

What is the SMILES notation for N-butyl-7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-[2-(dimethylamino)ethyl]-7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N,N-dimethyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N-[3-(methylamino)propyl]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[3-[2-(4-methylpiperazin-1-yl)ethyl]-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?

The canonical SMILES for N-butyl-7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-[2-(dimethylamino)ethyl]-7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N,N-dimethyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N-[3-(methylamino)propyl]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[3-[2-(4-methylpiperazin-1-yl)ethyl]-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide is CCCCNC(=O)c1nc2c(N3CCc4cc(F)ccc43)ncnc2s1.CN(C)C(=O)c1nc2c(N3CCc4cc(F)ccc43)ncnc2s1.CN(C)CCNC(=O)c1nc2c(N3CCc4cc(F)ccc43)ncnc2s1.CN1CCN(CCC2CN(c3ncnc4sc(C(=O)NC5CCOCC5)nc34)c3ccccc32)CC1.CNCCCNC(=O)c1nc2c(N3CCc4cc(F)ccc43)ncnc2s1.

What is the InChIKey of N-butyl-7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-[2-(dimethylamino)ethyl]-7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N,N-dimethyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N-[3-(methylamino)propyl]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[3-[2-(4-methylpiperazin-1-yl)ethyl]-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?

The InChIKey is AWQWIODQQNLDNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N7O2S.2C18H19FN6OS.C18H18FN5OS.C16H14FN5OS/c1-31-10-12-32(13-11-31)9-6-18-16-33(21-5-3-2-4-20(18)21)23-22-25(28-17-27-23)36-26(30-22)24(34)29-19-7-14-35-15-8-19;1-24(2)8-6-20-16(26)18-23-14-15(21-10-22-17(14)27-18)25-7-5-11-9-12(19)3-4-13(11)25;1-20-6-2-7-21-16(26)18-24-14-15(22-10-23-17(14)27-18)25-8-5-11-9-12(19)3-4-13(11)25;1-2-3-7-20-16(25)18-23-14-15(21-10-22-17(14)26-18)24-8-6-11-9-12(19)4-5-13(11)24;1-21(2)16(23)15-20-12-13(18-8-19-14(12)24-15)22-6-5-9-7-10(17)3-4-11(9)22/h2-5,17-19H,6-16H2,1H3,(H,29,34);3-4,9-10H,5-8H2,1-2H3,(H,20,26);3-4,9-10,20H,2,5-8H2,1H3,(H,21,26);4-5,9-10H,2-3,6-8H2,1H3,(H,20,25);3-4,7-8H,5-6H2,1-2H3.

What are the key properties of N-butyl-7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-[2-(dimethylamino)ethyl]-7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N,N-dimethyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N-[3-(methylamino)propyl]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[3-[2-(4-methylpiperazin-1-yl)ethyl]-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?

N-butyl-7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-[2-(dimethylamino)ethyl]-7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N,N-dimethyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N-[3-(methylamino)propyl]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[3-[2-(4-methylpiperazin-1-yl)ethyl]-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide has a molecular weight of 1995.40 g/mol, XLogP of 13.41, 24 rotatable bonds, 5 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for N-butyl-7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-[2-(dimethylamino)ethyl]-7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N,N-dimethyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N-[3-(methylamino)propyl]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[3-[2-(4-methylpiperazin-1-yl)ethyl]-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide is sourced from PubChem (CID 157253943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).