N-[3-(dimethylamino)propyl]-7-(3,3-dimethyl-2H-indol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-[3-(dimethylamino)propyl]-7-(2-ethoxy-4-fluoroanilino)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-[3-(dimethylamino)propyl]-7-(2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-(oxan-4-yl)-7-spiro[2H-indole-3,4'-oxane]-1-yl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide

C83H100FN23O8S4 — CID 158118456

About N-[3-(dimethylamino)propyl]-7-(3,3-dimethyl-2H-indol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-[3-(dimethylamino)propyl]-7-(2-ethoxy-4-fluoroanilino)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-[3-(dimethylamino)propyl]-7-(2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-(oxan-4-yl)-7-spiro[2H-indole-3,4'-oxane]-1-yl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide

N-[3-(dimethylamino)propyl]-7-(3,3-dimethyl-2H-indol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-[3-(dimethylamino)propyl]-7-(2-ethoxy-4-fluoroanilino)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-[3-(dimethylamino)propyl]-7-(2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-(oxan-4-yl)-7-spiro[2H-indole-3,4'-oxane]-1-yl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide (PubChem CID 158118456) has the molecular formula C83H100FN23O8S4 and a molecular weight of 1695.13 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-7-(3,3-dimethyl-2H-indol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-[3-(dimethylamino)propyl]-7-(2-ethoxy-4-fluoroanilino)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-[3-(dimethylamino)propyl]-7-(2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-(oxan-4-yl)-7-spiro[2H-indole-3,4'-oxane]-1-yl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide.

Molecular Properties

• Compound Name: N-[3-(dimethylamino)propyl]-7-(3,3-dimethyl-2H-indol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-[3-(dimethylamino)propyl]-7-(2-ethoxy-4-fluoroanilino)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-[3-(dimethylamino)propyl]-7-(2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-(oxan-4-yl)-7-spiro[2H-indole-3,4'-oxane]-1-yl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
• PubChem CID: 158118456
• Molecular Formula: C83H100FN23O8S4
• Molecular Weight: 1695.13 g/mol
• Exact Mass: 1693.70
• IUPAC Name: N-[3-(dimethylamino)propyl]-7-(3,3-dimethyl-2H-indol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-[3-(dimethylamino)propyl]-7-(2-ethoxy-4-fluoroanilino)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-[3-(dimethylamino)propyl]-7-(2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-(oxan-4-yl)-7-spiro[2H-indole-3,4'-oxane]-1-yl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
• SMILES: CC(C)Oc1ccccc1Nc1ncnc2sc(C(=O)NCCCN(C)C)nc12.CCOc1cc(F)ccc1Nc1ncnc2sc(C(=O)NCCCN(C)C)nc12.CN(C)CCCNC(=O)c1nc2c(N3CC(C)(C)c4ccccc43)ncnc2s1.O=C(NC1CCOCC1)c1nc2c(N3CC4(CCOCC4)c4ccccc43)ncnc2s1
• InChI: InChI=1S/C23H25N5O3S.C21H26N6OS.C20H26N6O2S.C19H23FN6O2S/c29-20(26-15-5-9-30-10-6-15)22-27-18-19(24-14-25-21(18)32-22)28-13-23(7-11-31-12-8-23)16-3-1-2-4-17(16)28;1-21(2)12-27(15-9-6-5-8-14(15)21)17-16-19(24-13-23-17)29-20(25-16)18(28)22-10-7-11-26(3)4;1-13(2)28-15-9-6-5-8-14(15)24-17-16-19(23-12-22-17)29-20(25-16)18(27)21-10-7-11-26(3)4;1-4-28-14-10-12(20)6-7-13(14)24-16-15-18(23-11-22-16)29-19(25-15)17(27)21-8-5-9-26(2)3/h1-4,14-15H,5-13H2,(H,26,29);5-6,8-9,13H,7,10-12H2,1-4H3,(H,22,28);5-6,8-9,12-13H,7,10-11H2,1-4H3,(H,21,27)(H,22,23,24);6-7,10-11H,4-5,8-9H2,1-3H3,(H,21,27)(H,22,23,24)
• InChIKey: FRHUXLDEZNRAJE-UHFFFAOYSA-N
• XLogP: 12.74
• TPSA: 348.26 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 31
• Rotatable Bonds: 27
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1695.13
LogP ≤ 5	12.74
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	31

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-(3,3-dimethyl-2H-indol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-[3-(dimethylamino)propyl]-7-(2-ethoxy-4-fluoroanilino)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-[3-(dimethylamino)propyl]-7-(2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-(oxan-4-yl)-7-spiro[2H-indole-3,4'-oxane]-1-yl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?

The IUPAC name of N-[3-(dimethylamino)propyl]-7-(3,3-dimethyl-2H-indol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-[3-(dimethylamino)propyl]-7-(2-ethoxy-4-fluoroanilino)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-[3-(dimethylamino)propyl]-7-(2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-(oxan-4-yl)-7-spiro[2H-indole-3,4'-oxane]-1-yl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide (CID 158118456) is N-[3-(dimethylamino)propyl]-7-(3,3-dimethyl-2H-indol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-[3-(dimethylamino)propyl]-7-(2-ethoxy-4-fluoroanilino)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-[3-(dimethylamino)propyl]-7-(2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-(oxan-4-yl)-7-spiro[2H-indole-3,4'-oxane]-1-yl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide.

What is the SMILES notation for N-[3-(dimethylamino)propyl]-7-(3,3-dimethyl-2H-indol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-[3-(dimethylamino)propyl]-7-(2-ethoxy-4-fluoroanilino)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-[3-(dimethylamino)propyl]-7-(2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-(oxan-4-yl)-7-spiro[2H-indole-3,4'-oxane]-1-yl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?

The canonical SMILES for N-[3-(dimethylamino)propyl]-7-(3,3-dimethyl-2H-indol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-[3-(dimethylamino)propyl]-7-(2-ethoxy-4-fluoroanilino)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-[3-(dimethylamino)propyl]-7-(2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-(oxan-4-yl)-7-spiro[2H-indole-3,4'-oxane]-1-yl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide is CC(C)Oc1ccccc1Nc1ncnc2sc(C(=O)NCCCN(C)C)nc12.CCOc1cc(F)ccc1Nc1ncnc2sc(C(=O)NCCCN(C)C)nc12.CN(C)CCCNC(=O)c1nc2c(N3CC(C)(C)c4ccccc43)ncnc2s1.O=C(NC1CCOCC1)c1nc2c(N3CC4(CCOCC4)c4ccccc43)ncnc2s1.

What is the InChIKey of N-[3-(dimethylamino)propyl]-7-(3,3-dimethyl-2H-indol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-[3-(dimethylamino)propyl]-7-(2-ethoxy-4-fluoroanilino)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-[3-(dimethylamino)propyl]-7-(2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-(oxan-4-yl)-7-spiro[2H-indole-3,4'-oxane]-1-yl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?

The InChIKey is FRHUXLDEZNRAJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O3S.C21H26N6OS.C20H26N6O2S.C19H23FN6O2S/c29-20(26-15-5-9-30-10-6-15)22-27-18-19(24-14-25-21(18)32-22)28-13-23(7-11-31-12-8-23)16-3-1-2-4-17(16)28;1-21(2)12-27(15-9-6-5-8-14(15)21)17-16-19(24-13-23-17)29-20(25-16)18(28)22-10-7-11-26(3)4;1-13(2)28-15-9-6-5-8-14(15)24-17-16-19(23-12-22-17)29-20(25-16)18(27)21-10-7-11-26(3)4;1-4-28-14-10-12(20)6-7-13(14)24-16-15-18(23-11-22-16)29-19(25-15)17(27)21-8-5-9-26(2)3/h1-4,14-15H,5-13H2,(H,26,29);5-6,8-9,13H,7,10-12H2,1-4H3,(H,22,28);5-6,8-9,12-13H,7,10-11H2,1-4H3,(H,21,27)(H,22,23,24);6-7,10-11H,4-5,8-9H2,1-3H3,(H,21,27)(H,22,23,24).

What are the key properties of N-[3-(dimethylamino)propyl]-7-(3,3-dimethyl-2H-indol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-[3-(dimethylamino)propyl]-7-(2-ethoxy-4-fluoroanilino)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-[3-(dimethylamino)propyl]-7-(2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-(oxan-4-yl)-7-spiro[2H-indole-3,4'-oxane]-1-yl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?

N-[3-(dimethylamino)propyl]-7-(3,3-dimethyl-2H-indol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-[3-(dimethylamino)propyl]-7-(2-ethoxy-4-fluoroanilino)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-[3-(dimethylamino)propyl]-7-(2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-(oxan-4-yl)-7-spiro[2H-indole-3,4'-oxane]-1-yl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide has a molecular weight of 1695.13 g/mol, XLogP of 12.74, 27 rotatable bonds, 6 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(dimethylamino)propyl]-7-(3,3-dimethyl-2H-indol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-[3-(dimethylamino)propyl]-7-(2-ethoxy-4-fluoroanilino)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-[3-(dimethylamino)propyl]-7-(2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-(oxan-4-yl)-7-spiro[2H-indole-3,4'-oxane]-1-yl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide is sourced from PubChem (CID 158118456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).