7-(2,3-dihydroindol-1-yl)-N-(oxolan-2-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(2,3-dihydroindol-1-yl)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(7-fluoro-2,3-dihydroindol-1-yl)-N-[(1-methylpiperidin-4-yl)methyl]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(4-fluoro-2-propan-2-yloxyanilino)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide

C81H89F2N23O6S4 — CID 158119896

About 7-(2,3-dihydroindol-1-yl)-N-(oxolan-2-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(2,3-dihydroindol-1-yl)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(7-fluoro-2,3-dihydroindol-1-yl)-N-[(1-methylpiperidin-4-yl)methyl]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(4-fluoro-2-propan-2-yloxyanilino)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide

7-(2,3-dihydroindol-1-yl)-N-(oxolan-2-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(2,3-dihydroindol-1-yl)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(7-fluoro-2,3-dihydroindol-1-yl)-N-[(1-methylpiperidin-4-yl)methyl]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(4-fluoro-2-propan-2-yloxyanilino)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide (PubChem CID 158119896) has the molecular formula C81H89F2N23O6S4 and a molecular weight of 1647.02 g/mol. Its IUPAC name is 7-(2,3-dihydroindol-1-yl)-N-(oxolan-2-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(2,3-dihydroindol-1-yl)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(7-fluoro-2,3-dihydroindol-1-yl)-N-[(1-methylpiperidin-4-yl)methyl]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(4-fluoro-2-propan-2-yloxyanilino)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide.

Molecular Properties

• Compound Name: 7-(2,3-dihydroindol-1-yl)-N-(oxolan-2-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(2,3-dihydroindol-1-yl)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(7-fluoro-2,3-dihydroindol-1-yl)-N-[(1-methylpiperidin-4-yl)methyl]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(4-fluoro-2-propan-2-yloxyanilino)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
• PubChem CID: 158119896
• Molecular Formula: C81H89F2N23O6S4
• Molecular Weight: 1647.02 g/mol
• Exact Mass: 1645.62
• IUPAC Name: 7-(2,3-dihydroindol-1-yl)-N-(oxolan-2-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(2,3-dihydroindol-1-yl)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(7-fluoro-2,3-dihydroindol-1-yl)-N-[(1-methylpiperidin-4-yl)methyl]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(4-fluoro-2-propan-2-yloxyanilino)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
• SMILES: CC(C)Oc1cc(F)ccc1Nc1ncnc2sc(C(=O)NCC3CCNCC3)nc12.CN1CCC(CNC(=O)c2nc3c(N4CCc5cccc(F)c54)ncnc3s2)CC1.O=C(NCC1CCCO1)c1nc2c(N3CCc4ccccc43)ncnc2s1.O=C(NCC1CCNCC1)c1nc2c(N3CCc4ccccc43)ncnc2s1
• InChI: InChI=1S/C21H25FN6O2S.C21H23FN6OS.C20H22N6OS.C19H19N5O2S/c1-12(2)30-16-9-14(22)3-4-15(16)27-18-17-20(26-11-25-18)31-21(28-17)19(29)24-10-13-5-7-23-8-6-13;1-27-8-5-13(6-9-27)11-23-19(29)21-26-16-18(24-12-25-20(16)30-21)28-10-7-14-3-2-4-15(22)17(14)28;27-18(22-11-13-5-8-21-9-6-13)20-25-16-17(23-12-24-19(16)28-20)26-10-7-14-3-1-2-4-15(14)26;25-17(20-10-13-5-3-9-26-13)19-23-15-16(21-11-22-18(15)27-19)24-8-7-12-4-1-2-6-14(12)24/h3-4,9,11-13,23H,5-8,10H2,1-2H3,(H,24,29)(H,25,26,27);2-4,12-13H,5-11H2,1H3,(H,23,29);1-4,12-13,21H,5-11H2,(H,22,27);1-2,4,6,11,13H,3,5,7-10H2,(H,20,25)
• InChIKey: FRMBRISTNWILFQ-UHFFFAOYSA-N
• XLogP: 11.68
• TPSA: 338.59 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 29
• Rotatable Bonds: 19
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1647.02
LogP ≤ 5	11.68
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of 7-(2,3-dihydroindol-1-yl)-N-(oxolan-2-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(2,3-dihydroindol-1-yl)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(7-fluoro-2,3-dihydroindol-1-yl)-N-[(1-methylpiperidin-4-yl)methyl]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(4-fluoro-2-propan-2-yloxyanilino)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?

The IUPAC name of 7-(2,3-dihydroindol-1-yl)-N-(oxolan-2-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(2,3-dihydroindol-1-yl)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(7-fluoro-2,3-dihydroindol-1-yl)-N-[(1-methylpiperidin-4-yl)methyl]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(4-fluoro-2-propan-2-yloxyanilino)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide (CID 158119896) is 7-(2,3-dihydroindol-1-yl)-N-(oxolan-2-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(2,3-dihydroindol-1-yl)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(7-fluoro-2,3-dihydroindol-1-yl)-N-[(1-methylpiperidin-4-yl)methyl]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(4-fluoro-2-propan-2-yloxyanilino)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide.

What is the SMILES notation for 7-(2,3-dihydroindol-1-yl)-N-(oxolan-2-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(2,3-dihydroindol-1-yl)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(7-fluoro-2,3-dihydroindol-1-yl)-N-[(1-methylpiperidin-4-yl)methyl]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(4-fluoro-2-propan-2-yloxyanilino)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?

The canonical SMILES for 7-(2,3-dihydroindol-1-yl)-N-(oxolan-2-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(2,3-dihydroindol-1-yl)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(7-fluoro-2,3-dihydroindol-1-yl)-N-[(1-methylpiperidin-4-yl)methyl]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(4-fluoro-2-propan-2-yloxyanilino)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide is CC(C)Oc1cc(F)ccc1Nc1ncnc2sc(C(=O)NCC3CCNCC3)nc12.CN1CCC(CNC(=O)c2nc3c(N4CCc5cccc(F)c54)ncnc3s2)CC1.O=C(NCC1CCCO1)c1nc2c(N3CCc4ccccc43)ncnc2s1.O=C(NCC1CCNCC1)c1nc2c(N3CCc4ccccc43)ncnc2s1.

What is the InChIKey of 7-(2,3-dihydroindol-1-yl)-N-(oxolan-2-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(2,3-dihydroindol-1-yl)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(7-fluoro-2,3-dihydroindol-1-yl)-N-[(1-methylpiperidin-4-yl)methyl]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(4-fluoro-2-propan-2-yloxyanilino)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?

The InChIKey is FRMBRISTNWILFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN6O2S.C21H23FN6OS.C20H22N6OS.C19H19N5O2S/c1-12(2)30-16-9-14(22)3-4-15(16)27-18-17-20(26-11-25-18)31-21(28-17)19(29)24-10-13-5-7-23-8-6-13;1-27-8-5-13(6-9-27)11-23-19(29)21-26-16-18(24-12-25-20(16)30-21)28-10-7-14-3-2-4-15(22)17(14)28;27-18(22-11-13-5-8-21-9-6-13)20-25-16-17(23-12-24-19(16)28-20)26-10-7-14-3-1-2-4-15(14)26;25-17(20-10-13-5-3-9-26-13)19-23-15-16(21-11-22-18(15)27-19)24-8-7-12-4-1-2-6-14(12)24/h3-4,9,11-13,23H,5-8,10H2,1-2H3,(H,24,29)(H,25,26,27);2-4,12-13H,5-11H2,1H3,(H,23,29);1-4,12-13,21H,5-11H2,(H,22,27);1-2,4,6,11,13H,3,5,7-10H2,(H,20,25).

What are the key properties of 7-(2,3-dihydroindol-1-yl)-N-(oxolan-2-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(2,3-dihydroindol-1-yl)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(7-fluoro-2,3-dihydroindol-1-yl)-N-[(1-methylpiperidin-4-yl)methyl]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(4-fluoro-2-propan-2-yloxyanilino)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?

7-(2,3-dihydroindol-1-yl)-N-(oxolan-2-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(2,3-dihydroindol-1-yl)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(7-fluoro-2,3-dihydroindol-1-yl)-N-[(1-methylpiperidin-4-yl)methyl]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(4-fluoro-2-propan-2-yloxyanilino)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide has a molecular weight of 1647.02 g/mol, XLogP of 11.68, 19 rotatable bonds, 7 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(2,3-dihydroindol-1-yl)-N-(oxolan-2-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(2,3-dihydroindol-1-yl)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(7-fluoro-2,3-dihydroindol-1-yl)-N-[(1-methylpiperidin-4-yl)methyl]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(4-fluoro-2-propan-2-yloxyanilino)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide is sourced from PubChem (CID 158119896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).