7-(2-cyclopentyloxy-4-fluoroanilino)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[2-(1,3-difluoropropan-2-yloxy)-4-fluoroanilino]-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(1H-isoindol-5-ylamino)-N-(piperidin-4-ylmethyl)-[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

C92H98F7N25O7S4 — CID 161473254

About 7-(2-cyclopentyloxy-4-fluoroanilino)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[2-(1,3-difluoropropan-2-yloxy)-4-fluoroanilino]-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(1H-isoindol-5-ylamino)-N-(piperidin-4-ylmethyl)-[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

7-(2-cyclopentyloxy-4-fluoroanilino)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[2-(1,3-difluoropropan-2-yloxy)-4-fluoroanilino]-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(1H-isoindol-5-ylamino)-N-(piperidin-4-ylmethyl)-[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 (PubChem CID 161473254) has the molecular formula C92H98F7N25O7S4 and a molecular weight of 1927.22 g/mol. Its IUPAC name is 7-(2-cyclopentyloxy-4-fluoroanilino)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[2-(1,3-difluoropropan-2-yloxy)-4-fluoroanilino]-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(1H-isoindol-5-ylamino)-N-(piperidin-4-ylmethyl)-[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.

Molecular Properties

• Compound Name: 7-(2-cyclopentyloxy-4-fluoroanilino)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[2-(1,3-difluoropropan-2-yloxy)-4-fluoroanilino]-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(1H-isoindol-5-ylamino)-N-(piperidin-4-ylmethyl)-[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
• PubChem CID: 161473254
• Molecular Formula: C92H98F7N25O7S4
• Molecular Weight: 1927.22 g/mol
• Exact Mass: 1925.69
• IUPAC Name: 7-(2-cyclopentyloxy-4-fluoroanilino)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[2-(1,3-difluoropropan-2-yloxy)-4-fluoroanilino]-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(1H-isoindol-5-ylamino)-N-(piperidin-4-ylmethyl)-[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
• SMILES: O=C(Cc1ccc(Nc2ncnc3sc(C(=O)NCC4CCNCC4)nc23)cc1)Cc1cccc(C(F)(F)F)c1.O=C(NCC1CCNCC1)c1nc2c(Nc3ccc(F)cc3OC(CF)CF)ncnc2s1.O=C(NCC1CCNCC1)c1nc2c(Nc3ccc(F)cc3OC3CCCC3)ncnc2s1.O=C(NCC1CCNCC1)c1nc2c(Nc3ccc4c(c3)C=NC4)ncnc2s1
• InChI: InChI=1S/C28H27F3N6O2S.C23H27FN6O2S.C21H23F3N6O2S.C20H21N7OS/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;24-15-5-6-17(18(11-15)32-16-3-1-2-4-16)29-20-19-22(28-13-27-20)33-23(30-19)21(31)26-12-14-7-9-25-10-8-14;22-8-14(9-23)32-16-7-13(24)1-2-15(16)29-18-17-20(28-11-27-18)33-21(30-17)19(31)26-10-12-3-5-25-6-4-12;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/h1-7,12,16,18,32H,8-11,13-15H2,(H,33,39)(H,34,35,36);5-6,11,13-14,16,25H,1-4,7-10,12H2,(H,26,31)(H,27,28,29);1-2,7,11-12,14,25H,3-6,8-10H2,(H,26,31)(H,27,28,29);1-2,7,10-12,21H,3-6,8-9H2,(H,23,28)(H,24,25,26)
• InChIKey: WDJGYAIBZBGMCB-UHFFFAOYSA-N
• XLogP: 14.83
• TPSA: 415.21 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 32
• Rotatable Bonds: 30
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1927.22
LogP ≤ 5	14.83
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of 7-(2-cyclopentyloxy-4-fluoroanilino)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[2-(1,3-difluoropropan-2-yloxy)-4-fluoroanilino]-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(1H-isoindol-5-ylamino)-N-(piperidin-4-ylmethyl)-[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?

The IUPAC name of 7-(2-cyclopentyloxy-4-fluoroanilino)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[2-(1,3-difluoropropan-2-yloxy)-4-fluoroanilino]-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(1H-isoindol-5-ylamino)-N-(piperidin-4-ylmethyl)-[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 (CID 161473254) is 7-(2-cyclopentyloxy-4-fluoroanilino)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[2-(1,3-difluoropropan-2-yloxy)-4-fluoroanilino]-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(1H-isoindol-5-ylamino)-N-(piperidin-4-ylmethyl)-[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.

What is the SMILES notation for 7-(2-cyclopentyloxy-4-fluoroanilino)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[2-(1,3-difluoropropan-2-yloxy)-4-fluoroanilino]-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(1H-isoindol-5-ylamino)-N-(piperidin-4-ylmethyl)-[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?

The canonical SMILES for 7-(2-cyclopentyloxy-4-fluoroanilino)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[2-(1,3-difluoropropan-2-yloxy)-4-fluoroanilino]-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(1H-isoindol-5-ylamino)-N-(piperidin-4-ylmethyl)-[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 is O=C(Cc1ccc(Nc2ncnc3sc(C(=O)NCC4CCNCC4)nc23)cc1)Cc1cccc(C(F)(F)F)c1.O=C(NCC1CCNCC1)c1nc2c(Nc3ccc(F)cc3OC(CF)CF)ncnc2s1.O=C(NCC1CCNCC1)c1nc2c(Nc3ccc(F)cc3OC3CCCC3)ncnc2s1.O=C(NCC1CCNCC1)c1nc2c(Nc3ccc4c(c3)C=NC4)ncnc2s1.

What is the InChIKey of 7-(2-cyclopentyloxy-4-fluoroanilino)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[2-(1,3-difluoropropan-2-yloxy)-4-fluoroanilino]-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(1H-isoindol-5-ylamino)-N-(piperidin-4-ylmethyl)-[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?

The InChIKey is WDJGYAIBZBGMCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27F3N6O2S.C23H27FN6O2S.C21H23F3N6O2S.C20H21N7OS/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;24-15-5-6-17(18(11-15)32-16-3-1-2-4-16)29-20-19-22(28-13-27-20)33-23(30-19)21(31)26-12-14-7-9-25-10-8-14;22-8-14(9-23)32-16-7-13(24)1-2-15(16)29-18-17-20(28-11-27-18)33-21(30-17)19(31)26-10-12-3-5-25-6-4-12;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/h1-7,12,16,18,32H,8-11,13-15H2,(H,33,39)(H,34,35,36);5-6,11,13-14,16,25H,1-4,7-10,12H2,(H,26,31)(H,27,28,29);1-2,7,11-12,14,25H,3-6,8-10H2,(H,26,31)(H,27,28,29);1-2,7,10-12,21H,3-6,8-9H2,(H,23,28)(H,24,25,26).

What are the key properties of 7-(2-cyclopentyloxy-4-fluoroanilino)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[2-(1,3-difluoropropan-2-yloxy)-4-fluoroanilino]-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(1H-isoindol-5-ylamino)-N-(piperidin-4-ylmethyl)-[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?

7-(2-cyclopentyloxy-4-fluoroanilino)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[2-(1,3-difluoropropan-2-yloxy)-4-fluoroanilino]-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(1H-isoindol-5-ylamino)-N-(piperidin-4-ylmethyl)-[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 has a molecular weight of 1927.22 g/mol, XLogP of 14.83, 30 rotatable bonds, 12 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(2-cyclopentyloxy-4-fluoroanilino)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[2-(1,3-difluoropropan-2-yloxy)-4-fluoroanilino]-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(1H-isoindol-5-ylamino)-N-(piperidin-4-ylmethyl)-[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 is sourced from PubChem (CID 161473254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).