N-[3-(dimethylamino)propyl]-7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;4-[7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]morpholine;7-(4-fluoro-2-propan-2-yloxyanilino)-N-(morpholin-2-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxylic acid;1-[7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]propan-1-one

C89H94F5N25O11S5 — CID 159104394

About N-[3-(dimethylamino)propyl]-7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;4-[7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]morpholine;7-(4-fluoro-2-propan-2-yloxyanilino)-N-(morpholin-2-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxylic acid;1-[7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]propan-1-one

N-[3-(dimethylamino)propyl]-7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;4-[7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]morpholine;7-(4-fluoro-2-propan-2-yloxyanilino)-N-(morpholin-2-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxylic acid;1-[7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]propan-1-one (PubChem CID 159104394) has the molecular formula C89H94F5N25O11S5 and a molecular weight of 1945.22 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;4-[7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]morpholine;7-(4-fluoro-2-propan-2-yloxyanilino)-N-(morpholin-2-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxylic acid;1-[7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]propan-1-one.

Molecular Properties

• Compound Name: N-[3-(dimethylamino)propyl]-7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;4-[7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]morpholine;7-(4-fluoro-2-propan-2-yloxyanilino)-N-(morpholin-2-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxylic acid;1-[7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]propan-1-one
• PubChem CID: 159104394
• Molecular Formula: C89H94F5N25O11S5
• Molecular Weight: 1945.22 g/mol
• Exact Mass: 1943.61
• IUPAC Name: N-[3-(dimethylamino)propyl]-7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;4-[7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]morpholine;7-(4-fluoro-2-propan-2-yloxyanilino)-N-(morpholin-2-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxylic acid;1-[7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]propan-1-one
• SMILES: CC(C)Oc1cc(F)ccc1Nc1ncnc2sc(C(=O)NCC3CNCCO3)nc12.CC(C)Oc1cc(F)ccc1Nc1ncnc2sc(C(=O)NCCCN(C)C)nc12.CC(C)Oc1cc(F)ccc1Nc1ncnc2sc(C(=O)O)nc12.CCC(=O)c1nc2c(Nc3ccc(F)cc3OC(C)C)ncnc2s1.Fc1ccc2c(c1)CCN2c1ncnc2sc(N3CCOCC3)nc12
• InChI: InChI=1S/C20H23FN6O3S.C20H25FN6O2S.C17H16FN5OS.C17H17FN4O2S.C15H13FN4O3S/c1-11(2)30-15-7-12(21)3-4-14(15)26-17-16-19(25-10-24-17)31-20(27-16)18(28)23-9-13-8-22-5-6-29-13;1-12(2)29-15-10-13(21)6-7-14(15)25-17-16-19(24-11-23-17)30-20(26-16)18(28)22-8-5-9-27(3)4;18-12-1-2-13-11(9-12)3-4-23(13)15-14-16(20-10-19-15)25-17(21-14)22-5-7-24-8-6-22;1-4-12(23)16-22-14-15(19-8-20-17(14)25-16)21-11-6-5-10(18)7-13(11)24-9(2)3;1-7(2)23-10-5-8(16)3-4-9(10)19-12-11-13(18-6-17-12)24-14(20-11)15(21)22/h3-4,7,10-11,13,22H,5-6,8-9H2,1-2H3,(H,23,28)(H,24,25,26);6-7,10-12H,5,8-9H2,1-4H3,(H,22,28)(H,23,24,25);1-2,9-10H,3-8H2;5-9H,4H2,1-3H3,(H,19,20,21);3-7H,1-2H3,(H,21,22)(H,17,18,19)
• InChIKey: KDRQRBNXERANEH-UHFFFAOYSA-N
• XLogP: 16.47
• TPSA: 431.17 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 38
• Rotatable Bonds: 29
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1945.22
LogP ≤ 5	16.47
H-Bond Donors ≤ 5	8
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 N-[3-(dimethylamino)propyl]-7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;4-[7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]morpholine;7-(4-fluoro-2-propan-2-yloxyanilino)-N-(morpholin-2-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxylic acid;1-[7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]propan-1-one?

The IUPAC name of N-[3-(dimethylamino)propyl]-7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;4-[7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]morpholine;7-(4-fluoro-2-propan-2-yloxyanilino)-N-(morpholin-2-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxylic acid;1-[7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]propan-1-one (CID 159104394) is N-[3-(dimethylamino)propyl]-7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;4-[7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]morpholine;7-(4-fluoro-2-propan-2-yloxyanilino)-N-(morpholin-2-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxylic acid;1-[7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]propan-1-one.

What is the SMILES notation for N-[3-(dimethylamino)propyl]-7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;4-[7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]morpholine;7-(4-fluoro-2-propan-2-yloxyanilino)-N-(morpholin-2-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxylic acid;1-[7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]propan-1-one?

The canonical SMILES for N-[3-(dimethylamino)propyl]-7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;4-[7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]morpholine;7-(4-fluoro-2-propan-2-yloxyanilino)-N-(morpholin-2-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxylic acid;1-[7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]propan-1-one is CC(C)Oc1cc(F)ccc1Nc1ncnc2sc(C(=O)NCC3CNCCO3)nc12.CC(C)Oc1cc(F)ccc1Nc1ncnc2sc(C(=O)NCCCN(C)C)nc12.CC(C)Oc1cc(F)ccc1Nc1ncnc2sc(C(=O)O)nc12.CCC(=O)c1nc2c(Nc3ccc(F)cc3OC(C)C)ncnc2s1.Fc1ccc2c(c1)CCN2c1ncnc2sc(N3CCOCC3)nc12.

What is the InChIKey of N-[3-(dimethylamino)propyl]-7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;4-[7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]morpholine;7-(4-fluoro-2-propan-2-yloxyanilino)-N-(morpholin-2-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxylic acid;1-[7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]propan-1-one?

The InChIKey is KDRQRBNXERANEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN6O3S.C20H25FN6O2S.C17H16FN5OS.C17H17FN4O2S.C15H13FN4O3S/c1-11(2)30-15-7-12(21)3-4-14(15)26-17-16-19(25-10-24-17)31-20(27-16)18(28)23-9-13-8-22-5-6-29-13;1-12(2)29-15-10-13(21)6-7-14(15)25-17-16-19(24-11-23-17)30-20(26-16)18(28)22-8-5-9-27(3)4;18-12-1-2-13-11(9-12)3-4-23(13)15-14-16(20-10-19-15)25-17(21-14)22-5-7-24-8-6-22;1-4-12(23)16-22-14-15(19-8-20-17(14)25-16)21-11-6-5-10(18)7-13(11)24-9(2)3;1-7(2)23-10-5-8(16)3-4-9(10)19-12-11-13(18-6-17-12)24-14(20-11)15(21)22/h3-4,7,10-11,13,22H,5-6,8-9H2,1-2H3,(H,23,28)(H,24,25,26);6-7,10-12H,5,8-9H2,1-4H3,(H,22,28)(H,23,24,25);1-2,9-10H,3-8H2;5-9H,4H2,1-3H3,(H,19,20,21);3-7H,1-2H3,(H,21,22)(H,17,18,19).

What are the key properties of N-[3-(dimethylamino)propyl]-7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;4-[7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]morpholine;7-(4-fluoro-2-propan-2-yloxyanilino)-N-(morpholin-2-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxylic acid;1-[7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]propan-1-one?

N-[3-(dimethylamino)propyl]-7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;4-[7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]morpholine;7-(4-fluoro-2-propan-2-yloxyanilino)-N-(morpholin-2-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxylic acid;1-[7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]propan-1-one has a molecular weight of 1945.22 g/mol, XLogP of 16.47, 29 rotatable bonds, 8 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(dimethylamino)propyl]-7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;4-[7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]morpholine;7-(4-fluoro-2-propan-2-yloxyanilino)-N-(morpholin-2-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxylic acid;1-[7-(4-fluoro-2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]propan-1-one is sourced from PubChem (CID 159104394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).