7-(2-cyclopentyloxy-4-fluoroanilino)-N-[3-(dimethylamino)propyl]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(2,3-dihydroindol-1-yl)-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-[3-(dimethylamino)propyl]-7-[4-fluoro-2-[(1R,2S)-2-methoxycyclohexyl]oxyanilino]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-3,3-dimethyl-2H-indol-1-yl)-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluorospiro[2H-indole-3,1'-cyclopropane]-1-yl)-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;sulfane

C107H123F4N27O11S7 — CID 158717347

About 7-(2-cyclopentyloxy-4-fluoroanilino)-N-[3-(dimethylamino)propyl]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(2,3-dihydroindol-1-yl)-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-[3-(dimethylamino)propyl]-7-[4-fluoro-2-[(1R,2S)-2-methoxycyclohexyl]oxyanilino]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-3,3-dimethyl-2H-indol-1-yl)-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluorospiro[2H-indole-3,1'-cyclopropane]-1-yl)-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;sulfane

7-(2-cyclopentyloxy-4-fluoroanilino)-N-[3-(dimethylamino)propyl]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(2,3-dihydroindol-1-yl)-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-[3-(dimethylamino)propyl]-7-[4-fluoro-2-[(1R,2S)-2-methoxycyclohexyl]oxyanilino]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-3,3-dimethyl-2H-indol-1-yl)-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluorospiro[2H-indole-3,1'-cyclopropane]-1-yl)-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;sulfane (PubChem CID 158717347) has the molecular formula C107H123F4N27O11S7 and a molecular weight of 2263.80 g/mol. Its IUPAC name is 7-(2-cyclopentyloxy-4-fluoroanilino)-N-[3-(dimethylamino)propyl]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(2,3-dihydroindol-1-yl)-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-[3-(dimethylamino)propyl]-7-[4-fluoro-2-[(1R,2S)-2-methoxycyclohexyl]oxyanilino]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-3,3-dimethyl-2H-indol-1-yl)-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluorospiro[2H-indole-3,1'-cyclopropane]-1-yl)-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;sulfane.

Molecular Properties

• Compound Name: 7-(2-cyclopentyloxy-4-fluoroanilino)-N-[3-(dimethylamino)propyl]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(2,3-dihydroindol-1-yl)-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-[3-(dimethylamino)propyl]-7-[4-fluoro-2-[(1R,2S)-2-methoxycyclohexyl]oxyanilino]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-3,3-dimethyl-2H-indol-1-yl)-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluorospiro[2H-indole-3,1'-cyclopropane]-1-yl)-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;sulfane
• PubChem CID: 158717347
• Molecular Formula: C107H123F4N27O11S7
• Molecular Weight: 2263.80 g/mol
• Exact Mass: 2261.79
• IUPAC Name: 7-(2-cyclopentyloxy-4-fluoroanilino)-N-[3-(dimethylamino)propyl]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(2,3-dihydroindol-1-yl)-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-[3-(dimethylamino)propyl]-7-[4-fluoro-2-[(1R,2S)-2-methoxycyclohexyl]oxyanilino]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-3,3-dimethyl-2H-indol-1-yl)-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluorospiro[2H-indole-3,1'-cyclopropane]-1-yl)-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;sulfane
• SMILES: CC1(C)CN(c2ncnc3sc(C(=O)NC4CCOCC4)nc23)c2ccc(F)cc21.CN(C)CCCNC(=O)c1nc2c(Nc3ccc(F)cc3OC3CCCC3)ncnc2s1.CO[C@H]1CCCC[C@H]1Oc1cc(F)ccc1Nc1ncnc2sc(C(=O)NCCCN(C)C)nc12.O=C(NC1CCOCC1)c1nc2c(N3CC4(CC4)c4cc(F)ccc43)ncnc2s1.O=C(NC1CCOCC1)c1nc2c(N3CCc4ccccc43)ncnc2s1.S.S
• InChI: InChI=1S/C24H31FN6O3S.C22H27FN6O2S.C21H20FN5O2S.C21H22FN5O2S.C19H19N5O2S.2H2S/c1-31(2)12-6-11-26-22(32)24-30-20-21(27-14-28-23(20)35-24)29-16-10-9-15(25)13-19(16)34-18-8-5-4-7-17(18)33-3;1-29(2)11-5-10-24-20(30)22-28-18-19(25-13-26-21(18)32-22)27-16-9-8-14(23)12-17(16)31-15-6-3-4-7-15;22-12-1-2-15-14(9-12)21(5-6-21)10-27(15)17-16-19(24-11-23-17)30-20(26-16)18(28)25-13-3-7-29-8-4-13;1-21(2)10-27(15-4-3-12(22)9-14(15)21)17-16-19(24-11-23-17)30-20(26-16)18(28)25-13-5-7-29-8-6-13;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;;/h9-10,13-14,17-18H,4-8,11-12H2,1-3H3,(H,26,32)(H,27,28,29);8-9,12-13,15H,3-7,10-11H2,1-2H3,(H,24,30)(H,25,26,27);1-2,9,11,13H,3-8,10H2,(H,25,28);3-4,9,11,13H,5-8,10H2,1-2H3,(H,25,28);1-4,11,13H,5-10H2,(H,22,25);2*1H2/t17-,18+;;;;;;/m0....../s1
• InChIKey: IJMASRCYNPPTNE-BIVDCMLKSA-N
• XLogP: 17.75
• TPSA: 434.49 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 38
• Rotatable Bonds: 28
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2263.80
LogP ≤ 5	17.75
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-(2-cyclopentyloxy-4-fluoroanilino)-N-[3-(dimethylamino)propyl]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(2,3-dihydroindol-1-yl)-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-[3-(dimethylamino)propyl]-7-[4-fluoro-2-[(1R,2S)-2-methoxycyclohexyl]oxyanilino]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-3,3-dimethyl-2H-indol-1-yl)-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluorospiro[2H-indole-3,1'-cyclopropane]-1-yl)-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;sulfane?

The IUPAC name of 7-(2-cyclopentyloxy-4-fluoroanilino)-N-[3-(dimethylamino)propyl]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(2,3-dihydroindol-1-yl)-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-[3-(dimethylamino)propyl]-7-[4-fluoro-2-[(1R,2S)-2-methoxycyclohexyl]oxyanilino]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-3,3-dimethyl-2H-indol-1-yl)-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluorospiro[2H-indole-3,1'-cyclopropane]-1-yl)-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;sulfane (CID 158717347) is 7-(2-cyclopentyloxy-4-fluoroanilino)-N-[3-(dimethylamino)propyl]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(2,3-dihydroindol-1-yl)-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-[3-(dimethylamino)propyl]-7-[4-fluoro-2-[(1R,2S)-2-methoxycyclohexyl]oxyanilino]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-3,3-dimethyl-2H-indol-1-yl)-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluorospiro[2H-indole-3,1'-cyclopropane]-1-yl)-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;sulfane.

What is the SMILES notation for 7-(2-cyclopentyloxy-4-fluoroanilino)-N-[3-(dimethylamino)propyl]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(2,3-dihydroindol-1-yl)-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-[3-(dimethylamino)propyl]-7-[4-fluoro-2-[(1R,2S)-2-methoxycyclohexyl]oxyanilino]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-3,3-dimethyl-2H-indol-1-yl)-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluorospiro[2H-indole-3,1'-cyclopropane]-1-yl)-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;sulfane?

The canonical SMILES for 7-(2-cyclopentyloxy-4-fluoroanilino)-N-[3-(dimethylamino)propyl]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(2,3-dihydroindol-1-yl)-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-[3-(dimethylamino)propyl]-7-[4-fluoro-2-[(1R,2S)-2-methoxycyclohexyl]oxyanilino]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-3,3-dimethyl-2H-indol-1-yl)-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluorospiro[2H-indole-3,1'-cyclopropane]-1-yl)-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;sulfane is CC1(C)CN(c2ncnc3sc(C(=O)NC4CCOCC4)nc23)c2ccc(F)cc21.CN(C)CCCNC(=O)c1nc2c(Nc3ccc(F)cc3OC3CCCC3)ncnc2s1.CO[C@H]1CCCC[C@H]1Oc1cc(F)ccc1Nc1ncnc2sc(C(=O)NCCCN(C)C)nc12.O=C(NC1CCOCC1)c1nc2c(N3CC4(CC4)c4cc(F)ccc43)ncnc2s1.O=C(NC1CCOCC1)c1nc2c(N3CCc4ccccc43)ncnc2s1.S.S.

What is the InChIKey of 7-(2-cyclopentyloxy-4-fluoroanilino)-N-[3-(dimethylamino)propyl]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(2,3-dihydroindol-1-yl)-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-[3-(dimethylamino)propyl]-7-[4-fluoro-2-[(1R,2S)-2-methoxycyclohexyl]oxyanilino]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-3,3-dimethyl-2H-indol-1-yl)-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluorospiro[2H-indole-3,1'-cyclopropane]-1-yl)-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;sulfane?

The InChIKey is IJMASRCYNPPTNE-BIVDCMLKSA-N. The full InChI is InChI=1S/C24H31FN6O3S.C22H27FN6O2S.C21H20FN5O2S.C21H22FN5O2S.C19H19N5O2S.2H2S/c1-31(2)12-6-11-26-22(32)24-30-20-21(27-14-28-23(20)35-24)29-16-10-9-15(25)13-19(16)34-18-8-5-4-7-17(18)33-3;1-29(2)11-5-10-24-20(30)22-28-18-19(25-13-26-21(18)32-22)27-16-9-8-14(23)12-17(16)31-15-6-3-4-7-15;22-12-1-2-15-14(9-12)21(5-6-21)10-27(15)17-16-19(24-11-23-17)30-20(26-16)18(28)25-13-3-7-29-8-4-13;1-21(2)10-27(15-4-3-12(22)9-14(15)21)17-16-19(24-11-23-17)30-20(26-16)18(28)25-13-5-7-29-8-6-13;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;;/h9-10,13-14,17-18H,4-8,11-12H2,1-3H3,(H,26,32)(H,27,28,29);8-9,12-13,15H,3-7,10-11H2,1-2H3,(H,24,30)(H,25,26,27);1-2,9,11,13H,3-8,10H2,(H,25,28);3-4,9,11,13H,5-8,10H2,1-2H3,(H,25,28);1-4,11,13H,5-10H2,(H,22,25);2*1H2/t17-,18+;;;;;;/m0....../s1.

What are the key properties of 7-(2-cyclopentyloxy-4-fluoroanilino)-N-[3-(dimethylamino)propyl]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(2,3-dihydroindol-1-yl)-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-[3-(dimethylamino)propyl]-7-[4-fluoro-2-[(1R,2S)-2-methoxycyclohexyl]oxyanilino]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-3,3-dimethyl-2H-indol-1-yl)-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluorospiro[2H-indole-3,1'-cyclopropane]-1-yl)-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;sulfane?

7-(2-cyclopentyloxy-4-fluoroanilino)-N-[3-(dimethylamino)propyl]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(2,3-dihydroindol-1-yl)-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-[3-(dimethylamino)propyl]-7-[4-fluoro-2-[(1R,2S)-2-methoxycyclohexyl]oxyanilino]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-3,3-dimethyl-2H-indol-1-yl)-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluorospiro[2H-indole-3,1'-cyclopropane]-1-yl)-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;sulfane has a molecular weight of 2263.80 g/mol, XLogP of 17.75, 28 rotatable bonds, 7 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(2-cyclopentyloxy-4-fluoroanilino)-N-[3-(dimethylamino)propyl]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(2,3-dihydroindol-1-yl)-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-[3-(dimethylamino)propyl]-7-[4-fluoro-2-[(1R,2S)-2-methoxycyclohexyl]oxyanilino]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-3,3-dimethyl-2H-indol-1-yl)-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluorospiro[2H-indole-3,1'-cyclopropane]-1-yl)-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;sulfane is sourced from PubChem (CID 158717347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).