[7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]methanol;N-(4-fluoro-2-propan-2-yloxyphenyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine;N-[3-(methylamino)propyl]-7-[(2S)-2-methyl-2,3-dihydroindol-1-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;N-[1-[2-[2-(1-methylpiperidin-4-yl)acetyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]-2,3-dihydroindol-5-yl]acetamide;7-[4-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]anilino]-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;sulfane

C119H129F5N32O9S8 — CID 159310679

About [7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]methanol;N-(4-fluoro-2-propan-2-yloxyphenyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine;N-[3-(methylamino)propyl]-7-[(2S)-2-methyl-2,3-dihydroindol-1-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;N-[1-[2-[2-(1-methylpiperidin-4-yl)acetyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]-2,3-dihydroindol-5-yl]acetamide;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;N-(4-fluoro-2-propan-2-yloxyphenyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine;N-[3-(methylamino)propyl]-7-[(2S)-2-methyl-2,3-dihydroindol-1-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;N-[1-[2-[2-(1-methylpiperidin-4-yl)acetyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]-2,3-dihydroindol-5-yl]acetamide;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 159310679) has the molecular formula C119H129F5N32O9S8 and a molecular weight of 2503.08 g/mol. Its IUPAC name is [7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]methanol;N-(4-fluoro-2-propan-2-yloxyphenyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine;N-[3-(methylamino)propyl]-7-[(2S)-2-methyl-2,3-dihydroindol-1-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;N-[1-[2-[2-(1-methylpiperidin-4-yl)acetyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]-2,3-dihydroindol-5-yl]acetamide;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;N-(4-fluoro-2-propan-2-yloxyphenyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine;N-[3-(methylamino)propyl]-7-[(2S)-2-methyl-2,3-dihydroindol-1-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;N-[1-[2-[2-(1-methylpiperidin-4-yl)acetyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]-2,3-dihydroindol-5-yl]acetamide;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: 159310679
• Molecular Formula: C119H129F5N32O9S8
• Molecular Weight: 2503.08 g/mol
• Exact Mass: 2500.83
• IUPAC Name: [7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]methanol;N-(4-fluoro-2-propan-2-yloxyphenyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine;N-[3-(methylamino)propyl]-7-[(2S)-2-methyl-2,3-dihydroindol-1-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;N-[1-[2-[2-(1-methylpiperidin-4-yl)acetyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]-2,3-dihydroindol-5-yl]acetamide;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(=O)Nc1ccc2c(c1)CCN2c1ncnc2sc(C(=O)CC3CCN(C)CC3)nc12.CC(C)Oc1cc(F)ccc1Nc1ncnc2sc(CO)nc12.CC(C)Oc1cc(F)ccc1Nc1ncnc2scnc12.CNCCCNC(=O)c1nc2c(N3c4ccccc4C[C@@H]3C)ncnc2s1.C[C@H]1Cc2ccccc2N1c1ncnc2sc(C(=O)NC3CCNCC3)nc12.O=C(Cc1ccc(Nc2ncnc3sc(C(=O)NCC4CCNCC4)nc23)cc1)Cc1cccc(C(F)(F)F)c1.S.S
• InChI: InChI=1S/C28H27F3N6O2S.C23H26N6O2S.C20H22N6OS.C19H22N6OS.C15H15FN4O2S.C14H13FN4OS.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;1-14(30)26-17-3-4-18-16(12-17)7-10-29(18)21-20-23(25-13-24-21)32-22(27-20)19(31)11-15-5-8-28(2)9-6-15;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;1-12-10-13-6-3-4-7-14(13)25(12)16-15-18(23-11-22-16)27-19(24-15)17(26)21-9-5-8-20-2;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;1-8(2)20-11-5-9(15)3-4-10(11)19-13-12-14(17-6-16-13)21-7-18-12;;/h1-7,12,16,18,32H,8-11,13-15H2,(H,33,39)(H,34,35,36);3-4,12-13,15H,5-11H2,1-2H3,(H,26,30);2-5,11-12,14,21H,6-10H2,1H3,(H,24,27);3-4,6-7,11-12,20H,5,8-10H2,1-2H3,(H,21,26);3-5,7-8,21H,6H2,1-2H3,(H,17,18,19);3-8H,1-2H3,(H,16,17,19);2*1H2/t;;2*12-;;;;/m..00..../s1
• InChIKey: LCMQDGLHFULEEP-FNWJIHJXSA-N
• XLogP: 20.98
• TPSA: 506.39 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 43
• Rotatable Bonds: 32
• Heavy Atoms: 173
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2503.08
LogP ≤ 5	20.98
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	43

Computed Properties (RDKit)

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

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;N-(4-fluoro-2-propan-2-yloxyphenyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine;N-[3-(methylamino)propyl]-7-[(2S)-2-methyl-2,3-dihydroindol-1-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;N-[1-[2-[2-(1-methylpiperidin-4-yl)acetyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]-2,3-dihydroindol-5-yl]acetamide;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;N-(4-fluoro-2-propan-2-yloxyphenyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine;N-[3-(methylamino)propyl]-7-[(2S)-2-methyl-2,3-dihydroindol-1-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;N-[1-[2-[2-(1-methylpiperidin-4-yl)acetyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]-2,3-dihydroindol-5-yl]acetamide;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 159310679) is [7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]methanol;N-(4-fluoro-2-propan-2-yloxyphenyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine;N-[3-(methylamino)propyl]-7-[(2S)-2-methyl-2,3-dihydroindol-1-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;N-[1-[2-[2-(1-methylpiperidin-4-yl)acetyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]-2,3-dihydroindol-5-yl]acetamide;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;N-(4-fluoro-2-propan-2-yloxyphenyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine;N-[3-(methylamino)propyl]-7-[(2S)-2-methyl-2,3-dihydroindol-1-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;N-[1-[2-[2-(1-methylpiperidin-4-yl)acetyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]-2,3-dihydroindol-5-yl]acetamide;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;N-(4-fluoro-2-propan-2-yloxyphenyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine;N-[3-(methylamino)propyl]-7-[(2S)-2-methyl-2,3-dihydroindol-1-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;N-[1-[2-[2-(1-methylpiperidin-4-yl)acetyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]-2,3-dihydroindol-5-yl]acetamide;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(=O)Nc1ccc2c(c1)CCN2c1ncnc2sc(C(=O)CC3CCN(C)CC3)nc12.CC(C)Oc1cc(F)ccc1Nc1ncnc2sc(CO)nc12.CC(C)Oc1cc(F)ccc1Nc1ncnc2scnc12.CNCCCNC(=O)c1nc2c(N3c4ccccc4C[C@@H]3C)ncnc2s1.C[C@H]1Cc2ccccc2N1c1ncnc2sc(C(=O)NC3CCNCC3)nc12.O=C(Cc1ccc(Nc2ncnc3sc(C(=O)NCC4CCNCC4)nc23)cc1)Cc1cccc(C(F)(F)F)c1.S.S.

What is the InChIKey of [7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]methanol;N-(4-fluoro-2-propan-2-yloxyphenyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine;N-[3-(methylamino)propyl]-7-[(2S)-2-methyl-2,3-dihydroindol-1-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;N-[1-[2-[2-(1-methylpiperidin-4-yl)acetyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]-2,3-dihydroindol-5-yl]acetamide;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 LCMQDGLHFULEEP-FNWJIHJXSA-N. The full InChI is InChI=1S/C28H27F3N6O2S.C23H26N6O2S.C20H22N6OS.C19H22N6OS.C15H15FN4O2S.C14H13FN4OS.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;1-14(30)26-17-3-4-18-16(12-17)7-10-29(18)21-20-23(25-13-24-21)32-22(27-20)19(31)11-15-5-8-28(2)9-6-15;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;1-12-10-13-6-3-4-7-14(13)25(12)16-15-18(23-11-22-16)27-19(24-15)17(26)21-9-5-8-20-2;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;1-8(2)20-11-5-9(15)3-4-10(11)19-13-12-14(17-6-16-13)21-7-18-12;;/h1-7,12,16,18,32H,8-11,13-15H2,(H,33,39)(H,34,35,36);3-4,12-13,15H,5-11H2,1-2H3,(H,26,30);2-5,11-12,14,21H,6-10H2,1H3,(H,24,27);3-4,6-7,11-12,20H,5,8-10H2,1-2H3,(H,21,26);3-5,7-8,21H,6H2,1-2H3,(H,17,18,19);3-8H,1-2H3,(H,16,17,19);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;N-(4-fluoro-2-propan-2-yloxyphenyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine;N-[3-(methylamino)propyl]-7-[(2S)-2-methyl-2,3-dihydroindol-1-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;N-[1-[2-[2-(1-methylpiperidin-4-yl)acetyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]-2,3-dihydroindol-5-yl]acetamide;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;N-(4-fluoro-2-propan-2-yloxyphenyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine;N-[3-(methylamino)propyl]-7-[(2S)-2-methyl-2,3-dihydroindol-1-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;N-[1-[2-[2-(1-methylpiperidin-4-yl)acetyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]-2,3-dihydroindol-5-yl]acetamide;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 2503.08 g/mol, XLogP of 20.98, 32 rotatable bonds, 11 hydrogen bond donors, and 43 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;N-(4-fluoro-2-propan-2-yloxyphenyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine;N-[3-(methylamino)propyl]-7-[(2S)-2-methyl-2,3-dihydroindol-1-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;N-[1-[2-[2-(1-methylpiperidin-4-yl)acetyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]-2,3-dihydroindol-5-yl]acetamide;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 159310679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).