7-[2-(1,3-difluoropropan-2-yloxy)-4-fluoroanilino]-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(2-ethoxy-4-fluoroanilino)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[4-fluoro-2-[(3S)-oxolan-3-yl]oxyanilino]-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[3-(2-hydroxyethyl)-2,3-dihydroindol-1-yl]-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;sulfane

C85H99F5N24O9S5 — CID 159908517

About 7-[2-(1,3-difluoropropan-2-yloxy)-4-fluoroanilino]-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(2-ethoxy-4-fluoroanilino)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[4-fluoro-2-[(3S)-oxolan-3-yl]oxyanilino]-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[3-(2-hydroxyethyl)-2,3-dihydroindol-1-yl]-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;sulfane

7-[2-(1,3-difluoropropan-2-yloxy)-4-fluoroanilino]-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(2-ethoxy-4-fluoroanilino)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[4-fluoro-2-[(3S)-oxolan-3-yl]oxyanilino]-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[3-(2-hydroxyethyl)-2,3-dihydroindol-1-yl]-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;sulfane (PubChem CID 159908517) has the molecular formula C85H99F5N24O9S5 and a molecular weight of 1856.21 g/mol. Its IUPAC name is 7-[2-(1,3-difluoropropan-2-yloxy)-4-fluoroanilino]-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(2-ethoxy-4-fluoroanilino)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[4-fluoro-2-[(3S)-oxolan-3-yl]oxyanilino]-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[3-(2-hydroxyethyl)-2,3-dihydroindol-1-yl]-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;sulfane.

Molecular Properties

• Compound Name: 7-[2-(1,3-difluoropropan-2-yloxy)-4-fluoroanilino]-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(2-ethoxy-4-fluoroanilino)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[4-fluoro-2-[(3S)-oxolan-3-yl]oxyanilino]-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[3-(2-hydroxyethyl)-2,3-dihydroindol-1-yl]-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;sulfane
• PubChem CID: 159908517
• Molecular Formula: C85H99F5N24O9S5
• Molecular Weight: 1856.21 g/mol
• Exact Mass: 1854.66
• IUPAC Name: 7-[2-(1,3-difluoropropan-2-yloxy)-4-fluoroanilino]-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(2-ethoxy-4-fluoroanilino)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[4-fluoro-2-[(3S)-oxolan-3-yl]oxyanilino]-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[3-(2-hydroxyethyl)-2,3-dihydroindol-1-yl]-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;sulfane
• SMILES: CCOc1cc(F)ccc1Nc1ncnc2sc(C(=O)NCC3CCNCC3)nc12.O=C(NCC1CCNCC1)c1nc2c(N3CC(CCO)c4ccccc43)ncnc2s1.O=C(NCC1CCNCC1)c1nc2c(Nc3ccc(F)cc3OC(CF)CF)ncnc2s1.O=C(NCC1CCNCC1)c1nc2c(Nc3ccc(F)cc3O[C@H]3CCOC3)ncnc2s1.S
• InChI: InChI=1S/C22H25FN6O3S.C22H26N6O2S.C21H23F3N6O2S.C20H23FN6O2S.H2S/c23-14-1-2-16(17(9-14)32-15-5-8-31-11-15)28-19-18-21(27-12-26-19)33-22(29-18)20(30)25-10-13-3-6-24-7-4-13;29-10-7-15-12-28(17-4-2-1-3-16(15)17)19-18-21(26-13-25-19)31-22(27-18)20(30)24-11-14-5-8-23-9-6-14;22-8-14(9-23)32-16-7-13(24)1-2-15(16)29-18-17-20(28-11-27-18)33-21(30-17)19(31)26-10-12-3-5-25-6-4-12;1-2-29-15-9-13(21)3-4-14(15)26-17-16-19(25-11-24-17)30-20(27-16)18(28)23-10-12-5-7-22-8-6-12;/h1-2,9,12-13,15,24H,3-8,10-11H2,(H,25,30)(H,26,27,28);1-4,13-15,23,29H,5-12H2,(H,24,30);1-2,7,11-12,14,25H,3-6,8-10H2,(H,26,31)(H,27,28,29);3-4,9,11-12,22H,2,5-8,10H2,1H3,(H,23,28)(H,24,25,26);1H2/t15-;;;;/m0..../s1
• InChIKey: NWWOAJRIVQTIFM-FWELSTJRSA-N
• XLogP: 11.89
• TPSA: 415.68 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 33
• Rotatable Bonds: 29
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1856.21
LogP ≤ 5	11.89
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	33

Frequently Asked Questions

What is the IUPAC name of 7-[2-(1,3-difluoropropan-2-yloxy)-4-fluoroanilino]-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(2-ethoxy-4-fluoroanilino)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[4-fluoro-2-[(3S)-oxolan-3-yl]oxyanilino]-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[3-(2-hydroxyethyl)-2,3-dihydroindol-1-yl]-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;sulfane?

The IUPAC name of 7-[2-(1,3-difluoropropan-2-yloxy)-4-fluoroanilino]-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(2-ethoxy-4-fluoroanilino)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[4-fluoro-2-[(3S)-oxolan-3-yl]oxyanilino]-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[3-(2-hydroxyethyl)-2,3-dihydroindol-1-yl]-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;sulfane (CID 159908517) is 7-[2-(1,3-difluoropropan-2-yloxy)-4-fluoroanilino]-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(2-ethoxy-4-fluoroanilino)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[4-fluoro-2-[(3S)-oxolan-3-yl]oxyanilino]-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[3-(2-hydroxyethyl)-2,3-dihydroindol-1-yl]-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;sulfane.

What is the SMILES notation for 7-[2-(1,3-difluoropropan-2-yloxy)-4-fluoroanilino]-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(2-ethoxy-4-fluoroanilino)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[4-fluoro-2-[(3S)-oxolan-3-yl]oxyanilino]-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[3-(2-hydroxyethyl)-2,3-dihydroindol-1-yl]-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;sulfane?

The canonical SMILES for 7-[2-(1,3-difluoropropan-2-yloxy)-4-fluoroanilino]-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(2-ethoxy-4-fluoroanilino)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[4-fluoro-2-[(3S)-oxolan-3-yl]oxyanilino]-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[3-(2-hydroxyethyl)-2,3-dihydroindol-1-yl]-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;sulfane is CCOc1cc(F)ccc1Nc1ncnc2sc(C(=O)NCC3CCNCC3)nc12.O=C(NCC1CCNCC1)c1nc2c(N3CC(CCO)c4ccccc43)ncnc2s1.O=C(NCC1CCNCC1)c1nc2c(Nc3ccc(F)cc3OC(CF)CF)ncnc2s1.O=C(NCC1CCNCC1)c1nc2c(Nc3ccc(F)cc3O[C@H]3CCOC3)ncnc2s1.S.

What is the InChIKey of 7-[2-(1,3-difluoropropan-2-yloxy)-4-fluoroanilino]-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(2-ethoxy-4-fluoroanilino)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[4-fluoro-2-[(3S)-oxolan-3-yl]oxyanilino]-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[3-(2-hydroxyethyl)-2,3-dihydroindol-1-yl]-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;sulfane?

The InChIKey is NWWOAJRIVQTIFM-FWELSTJRSA-N. The full InChI is InChI=1S/C22H25FN6O3S.C22H26N6O2S.C21H23F3N6O2S.C20H23FN6O2S.H2S/c23-14-1-2-16(17(9-14)32-15-5-8-31-11-15)28-19-18-21(27-12-26-19)33-22(29-18)20(30)25-10-13-3-6-24-7-4-13;29-10-7-15-12-28(17-4-2-1-3-16(15)17)19-18-21(26-13-25-19)31-22(27-18)20(30)24-11-14-5-8-23-9-6-14;22-8-14(9-23)32-16-7-13(24)1-2-15(16)29-18-17-20(28-11-27-18)33-21(30-17)19(31)26-10-12-3-5-25-6-4-12;1-2-29-15-9-13(21)3-4-14(15)26-17-16-19(25-11-24-17)30-20(27-16)18(28)23-10-12-5-7-22-8-6-12;/h1-2,9,12-13,15,24H,3-8,10-11H2,(H,25,30)(H,26,27,28);1-4,13-15,23,29H,5-12H2,(H,24,30);1-2,7,11-12,14,25H,3-6,8-10H2,(H,26,31)(H,27,28,29);3-4,9,11-12,22H,2,5-8,10H2,1H3,(H,23,28)(H,24,25,26);1H2/t15-;;;;/m0..../s1.

What are the key properties of 7-[2-(1,3-difluoropropan-2-yloxy)-4-fluoroanilino]-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(2-ethoxy-4-fluoroanilino)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[4-fluoro-2-[(3S)-oxolan-3-yl]oxyanilino]-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[3-(2-hydroxyethyl)-2,3-dihydroindol-1-yl]-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;sulfane?

7-[2-(1,3-difluoropropan-2-yloxy)-4-fluoroanilino]-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(2-ethoxy-4-fluoroanilino)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[4-fluoro-2-[(3S)-oxolan-3-yl]oxyanilino]-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[3-(2-hydroxyethyl)-2,3-dihydroindol-1-yl]-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;sulfane has a molecular weight of 1856.21 g/mol, XLogP of 11.89, 29 rotatable bonds, 12 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[2-(1,3-difluoropropan-2-yloxy)-4-fluoroanilino]-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(2-ethoxy-4-fluoroanilino)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[4-fluoro-2-[(3S)-oxolan-3-yl]oxyanilino]-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[3-(2-hydroxyethyl)-2,3-dihydroindol-1-yl]-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;sulfane is sourced from PubChem (CID 159908517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).