About 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-(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 160508794) has the molecular formula C69H71F6N19O5S3
and a molecular weight of 1456.64 g/mol. Its IUPAC name is 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.
Frequently Asked Questions
What is the IUPAC name of 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-(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 160508794) is 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-(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-(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(Nc3ccc4c(c3)C=NC4)ncnc2s1.
What is the InChIKey of 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 QSTQCNLZAWYTOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27F3N6O2S.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;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);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-(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-(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 1456.64 g/mol, XLogP of 10.81, 23 rotatable bonds, 9 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 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 160508794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).