[7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]methanol;7-(1H-isoindol-5-ylamino)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-N-piperidin-4-yl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[4-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]anilino]-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;sulfane

C103H110F4N28O8S7 — CID 158749674

About [7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]methanol;7-(1H-isoindol-5-ylamino)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-N-piperidin-4-yl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[4-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]anilino]-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;sulfane

[7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]methanol;7-(1H-isoindol-5-ylamino)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-N-piperidin-4-yl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[4-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]anilino]-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;sulfane (PubChem CID 158749674) has the molecular formula C103H110F4N28O8S7 and a molecular weight of 2168.66 g/mol. Its IUPAC name is [7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]methanol;7-(1H-isoindol-5-ylamino)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-N-piperidin-4-yl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[4-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]anilino]-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;sulfane.

Molecular Properties

• Compound Name: [7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]methanol;7-(1H-isoindol-5-ylamino)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-N-piperidin-4-yl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[4-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]anilino]-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;sulfane
• PubChem CID: 158749674
• Molecular Formula: C103H110F4N28O8S7
• Molecular Weight: 2168.66 g/mol
• Exact Mass: 2166.70
• IUPAC Name: [7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]methanol;7-(1H-isoindol-5-ylamino)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-N-piperidin-4-yl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[4-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]anilino]-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;sulfane
• SMILES: CC(C)Oc1cc(F)ccc1Nc1ncnc2sc(CO)nc12.C[C@H]1Cc2ccccc2N1c1ncnc2sc(C(=O)NC3CCNCC3)nc12.C[C@H]1Cc2ccccc2N1c1ncnc2sc(C(=O)NC3CCOCC3)nc12.O=C(Cc1ccc(Nc2ncnc3sc(C(=O)NCC4CCNCC4)nc23)cc1)Cc1cccc(C(F)(F)F)c1.O=C(NCC1CCNCC1)c1nc2c(Nc3ccc4c(c3)C=NC4)ncnc2s1.S.S
• InChI: InChI=1S/C28H27F3N6O2S.C20H21N7OS.C20H22N6OS.C20H21N5O2S.C15H15FN4O2S.2H2S/c29-28(30,31)20-3-1-2-19(12-20)14-22(38)13-17-4-6-21(7-5-17)36-24-23-26(35-16-34-24)40-27(37-23)25(39)33-15-18-8-10-32-11-9-18;28-18(23-8-12-3-5-21-6-4-12)20-27-16-17(24-11-25-19(16)29-20)26-15-2-1-13-9-22-10-14(13)7-15;1-12-10-13-4-2-3-5-15(13)26(12)17-16-19(23-11-22-17)28-20(25-16)18(27)24-14-6-8-21-9-7-14;1-12-10-13-4-2-3-5-15(13)25(12)17-16-19(22-11-21-17)28-20(24-16)18(26)23-14-6-8-27-9-7-14;1-8(2)22-11-5-9(16)3-4-10(11)19-14-13-15(18-7-17-14)23-12(6-21)20-13;;/h1-7,12,16,18,32H,8-11,13-15H2,(H,33,39)(H,34,35,36);1-2,7,10-12,21H,3-6,8-9H2,(H,23,28)(H,24,25,26);2-5,11-12,14,21H,6-10H2,1H3,(H,24,27);2-5,11-12,14H,6-10H2,1H3,(H,23,26);3-5,7-8,21H,6H2,1-2H3,(H,17,18,19);2*1H2/t;;2*12-;;;/m..00.../s1
• InChIKey: INHXFCOKJLRHSN-MTYRGSSZSA-N
• XLogP: 16.63
• TPSA: 456.53 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 37
• Rotatable Bonds: 25
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2168.66
LogP ≤ 5	16.63
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	37

Frequently Asked Questions

What is the IUPAC name of [7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]methanol;7-(1H-isoindol-5-ylamino)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-N-piperidin-4-yl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[4-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]anilino]-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;sulfane?

The IUPAC name of [7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]methanol;7-(1H-isoindol-5-ylamino)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-N-piperidin-4-yl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[4-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]anilino]-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;sulfane (CID 158749674) is [7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]methanol;7-(1H-isoindol-5-ylamino)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-N-piperidin-4-yl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[4-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]anilino]-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;sulfane.

What is the SMILES notation for [7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]methanol;7-(1H-isoindol-5-ylamino)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-N-piperidin-4-yl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[4-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]anilino]-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;sulfane?

The canonical SMILES for [7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]methanol;7-(1H-isoindol-5-ylamino)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-N-piperidin-4-yl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[4-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]anilino]-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;sulfane is CC(C)Oc1cc(F)ccc1Nc1ncnc2sc(CO)nc12.C[C@H]1Cc2ccccc2N1c1ncnc2sc(C(=O)NC3CCNCC3)nc12.C[C@H]1Cc2ccccc2N1c1ncnc2sc(C(=O)NC3CCOCC3)nc12.O=C(Cc1ccc(Nc2ncnc3sc(C(=O)NCC4CCNCC4)nc23)cc1)Cc1cccc(C(F)(F)F)c1.O=C(NCC1CCNCC1)c1nc2c(Nc3ccc4c(c3)C=NC4)ncnc2s1.S.S.

What is the InChIKey of [7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]methanol;7-(1H-isoindol-5-ylamino)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-N-piperidin-4-yl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[4-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]anilino]-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;sulfane?

The InChIKey is INHXFCOKJLRHSN-MTYRGSSZSA-N. The full InChI is InChI=1S/C28H27F3N6O2S.C20H21N7OS.C20H22N6OS.C20H21N5O2S.C15H15FN4O2S.2H2S/c29-28(30,31)20-3-1-2-19(12-20)14-22(38)13-17-4-6-21(7-5-17)36-24-23-26(35-16-34-24)40-27(37-23)25(39)33-15-18-8-10-32-11-9-18;28-18(23-8-12-3-5-21-6-4-12)20-27-16-17(24-11-25-19(16)29-20)26-15-2-1-13-9-22-10-14(13)7-15;1-12-10-13-4-2-3-5-15(13)26(12)17-16-19(23-11-22-17)28-20(25-16)18(27)24-14-6-8-21-9-7-14;1-12-10-13-4-2-3-5-15(13)25(12)17-16-19(22-11-21-17)28-20(24-16)18(26)23-14-6-8-27-9-7-14;1-8(2)22-11-5-9(16)3-4-10(11)19-14-13-15(18-7-17-14)23-12(6-21)20-13;;/h1-7,12,16,18,32H,8-11,13-15H2,(H,33,39)(H,34,35,36);1-2,7,10-12,21H,3-6,8-9H2,(H,23,28)(H,24,25,26);2-5,11-12,14,21H,6-10H2,1H3,(H,24,27);2-5,11-12,14H,6-10H2,1H3,(H,23,26);3-5,7-8,21H,6H2,1-2H3,(H,17,18,19);2*1H2/t;;2*12-;;;/m..00.../s1.

What are the key properties of [7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]methanol;7-(1H-isoindol-5-ylamino)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-N-piperidin-4-yl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[4-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]anilino]-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;sulfane?

[7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]methanol;7-(1H-isoindol-5-ylamino)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-N-piperidin-4-yl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[4-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]anilino]-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;sulfane has a molecular weight of 2168.66 g/mol, XLogP of 16.63, 25 rotatable bonds, 11 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for [7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]methanol;7-(1H-isoindol-5-ylamino)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-N-piperidin-4-yl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[4-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]anilino]-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;sulfane is sourced from PubChem (CID 158749674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).