About 5-[4-[4-[[3-(1,1-difluoroethoxy)phenyl]methylcarbamoyl]triazol-1-yl]-3-fluorobutyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]-1,3,4-thiadiazole-2-carboxamide;N-[[5-(1,1-difluoroethyl)-2-pyridinyl]methyl]-5-[3-fluoro-4-[4-[[2-fluoro-5-(trifluoromethoxy)phenyl]methylcarbamoyl]triazol-1-yl]butyl]-1,3,4-thiadiazole-2-carboxamide;1-[3-fluoro-4-[4-[[(1R)-1-phenylpropyl]carbamoyl]triazol-1-yl]butyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]triazole-4-carboxamide;1-[3-fluoro-4-[4-[[(1S)-1-phenylpropyl]carbamoyl]triazol-1-yl]butyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]triazole-4-carboxamide
5-[4-[4-[[3-(1,1-difluoroethoxy)phenyl]methylcarbamoyl]triazol-1-yl]-3-fluorobutyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]-1,3,4-thiadiazole-2-carboxamide;N-[[5-(1,1-difluoroethyl)-2-pyridinyl]methyl]-5-[3-fluoro-4-[4-[[2-fluoro-5-(trifluoromethoxy)phenyl]methylcarbamoyl]triazol-1-yl]butyl]-1,3,4-thiadiazole-2-carboxamide;1-[3-fluoro-4-[4-[[(1R)-1-phenylpropyl]carbamoyl]triazol-1-yl]butyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]triazole-4-carboxamide;1-[3-fluoro-4-[4-[[(1S)-1-phenylpropyl]carbamoyl]triazol-1-yl]butyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]triazole-4-carboxamide (PubChem CID 157274537) has the molecular formula C106H103F21N32O12S2
and a molecular weight of 2480.29 g/mol. Its IUPAC name is 5-[4-[4-[[3-(1,1-difluoroethoxy)phenyl]methylcarbamoyl]triazol-1-yl]-3-fluorobutyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]-1,3,4-thiadiazole-2-carboxamide;N-[[5-(1,1-difluoroethyl)-2-pyridinyl]methyl]-5-[3-fluoro-4-[4-[[2-fluoro-5-(trifluoromethoxy)phenyl]methylcarbamoyl]triazol-1-yl]butyl]-1,3,4-thiadiazole-2-carboxamide;1-[3-fluoro-4-[4-[[(1R)-1-phenylpropyl]carbamoyl]triazol-1-yl]butyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]triazole-4-carboxamide;1-[3-fluoro-4-[4-[[(1S)-1-phenylpropyl]carbamoyl]triazol-1-yl]butyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]triazole-4-carboxamide.
Frequently Asked Questions
What is the IUPAC name of 5-[4-[4-[[3-(1,1-difluoroethoxy)phenyl]methylcarbamoyl]triazol-1-yl]-3-fluorobutyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]-1,3,4-thiadiazole-2-carboxamide;N-[[5-(1,1-difluoroethyl)-2-pyridinyl]methyl]-5-[3-fluoro-4-[4-[[2-fluoro-5-(trifluoromethoxy)phenyl]methylcarbamoyl]triazol-1-yl]butyl]-1,3,4-thiadiazole-2-carboxamide;1-[3-fluoro-4-[4-[[(1R)-1-phenylpropyl]carbamoyl]triazol-1-yl]butyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]triazole-4-carboxamide;1-[3-fluoro-4-[4-[[(1S)-1-phenylpropyl]carbamoyl]triazol-1-yl]butyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]triazole-4-carboxamide?
The IUPAC name of 5-[4-[4-[[3-(1,1-difluoroethoxy)phenyl]methylcarbamoyl]triazol-1-yl]-3-fluorobutyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]-1,3,4-thiadiazole-2-carboxamide;N-[[5-(1,1-difluoroethyl)-2-pyridinyl]methyl]-5-[3-fluoro-4-[4-[[2-fluoro-5-(trifluoromethoxy)phenyl]methylcarbamoyl]triazol-1-yl]butyl]-1,3,4-thiadiazole-2-carboxamide;1-[3-fluoro-4-[4-[[(1R)-1-phenylpropyl]carbamoyl]triazol-1-yl]butyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]triazole-4-carboxamide;1-[3-fluoro-4-[4-[[(1S)-1-phenylpropyl]carbamoyl]triazol-1-yl]butyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]triazole-4-carboxamide (CID 157274537) is 5-[4-[4-[[3-(1,1-difluoroethoxy)phenyl]methylcarbamoyl]triazol-1-yl]-3-fluorobutyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]-1,3,4-thiadiazole-2-carboxamide;N-[[5-(1,1-difluoroethyl)-2-pyridinyl]methyl]-5-[3-fluoro-4-[4-[[2-fluoro-5-(trifluoromethoxy)phenyl]methylcarbamoyl]triazol-1-yl]butyl]-1,3,4-thiadiazole-2-carboxamide;1-[3-fluoro-4-[4-[[(1R)-1-phenylpropyl]carbamoyl]triazol-1-yl]butyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]triazole-4-carboxamide;1-[3-fluoro-4-[4-[[(1S)-1-phenylpropyl]carbamoyl]triazol-1-yl]butyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]triazole-4-carboxamide.
What is the SMILES notation for 5-[4-[4-[[3-(1,1-difluoroethoxy)phenyl]methylcarbamoyl]triazol-1-yl]-3-fluorobutyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]-1,3,4-thiadiazole-2-carboxamide;N-[[5-(1,1-difluoroethyl)-2-pyridinyl]methyl]-5-[3-fluoro-4-[4-[[2-fluoro-5-(trifluoromethoxy)phenyl]methylcarbamoyl]triazol-1-yl]butyl]-1,3,4-thiadiazole-2-carboxamide;1-[3-fluoro-4-[4-[[(1R)-1-phenylpropyl]carbamoyl]triazol-1-yl]butyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]triazole-4-carboxamide;1-[3-fluoro-4-[4-[[(1S)-1-phenylpropyl]carbamoyl]triazol-1-yl]butyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]triazole-4-carboxamide?
The canonical SMILES for 5-[4-[4-[[3-(1,1-difluoroethoxy)phenyl]methylcarbamoyl]triazol-1-yl]-3-fluorobutyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]-1,3,4-thiadiazole-2-carboxamide;N-[[5-(1,1-difluoroethyl)-2-pyridinyl]methyl]-5-[3-fluoro-4-[4-[[2-fluoro-5-(trifluoromethoxy)phenyl]methylcarbamoyl]triazol-1-yl]butyl]-1,3,4-thiadiazole-2-carboxamide;1-[3-fluoro-4-[4-[[(1R)-1-phenylpropyl]carbamoyl]triazol-1-yl]butyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]triazole-4-carboxamide;1-[3-fluoro-4-[4-[[(1S)-1-phenylpropyl]carbamoyl]triazol-1-yl]butyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]triazole-4-carboxamide is CC(F)(F)Oc1cccc(CNC(=O)c2cn(CC(F)CCc3nnc(C(=O)NCc4cc(C(F)(F)F)ccn4)s3)nn2)c1.CC(F)(F)c1ccc(CNC(=O)c2nnc(CCC(F)Cn3cc(C(=O)NCc4cc(OC(F)(F)F)ccc4F)nn3)s2)nc1.CC[C@@H](NC(=O)c1cn(CC(F)CCn2cc(C(=O)NCc3cccc(OC(F)(F)F)c3)nn2)nn1)c1ccccc1.CC[C@H](NC(=O)c1cn(CC(F)CCn2cc(C(=O)NCc3cccc(OC(F)(F)F)c3)nn2)nn1)c1ccccc1.
What is the InChIKey of 5-[4-[4-[[3-(1,1-difluoroethoxy)phenyl]methylcarbamoyl]triazol-1-yl]-3-fluorobutyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]-1,3,4-thiadiazole-2-carboxamide;N-[[5-(1,1-difluoroethyl)-2-pyridinyl]methyl]-5-[3-fluoro-4-[4-[[2-fluoro-5-(trifluoromethoxy)phenyl]methylcarbamoyl]triazol-1-yl]butyl]-1,3,4-thiadiazole-2-carboxamide;1-[3-fluoro-4-[4-[[(1R)-1-phenylpropyl]carbamoyl]triazol-1-yl]butyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]triazole-4-carboxamide;1-[3-fluoro-4-[4-[[(1S)-1-phenylpropyl]carbamoyl]triazol-1-yl]butyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]triazole-4-carboxamide?
The InChIKey is AYXZKPURFJTYDD-NFVRKPSTSA-N. The full InChI is InChI=1S/2C27H28F4N8O3.C26H23F7N8O3S.C26H24F6N8O3S/c2*1-2-22(19-8-4-3-5-9-19)33-26(41)24-17-39(37-35-24)15-20(28)11-12-38-16-23(34-36-38)25(40)32-14-18-7-6-10-21(13-18)42-27(29,30)31;1-25(29,30)15-2-4-17(34-10-15)11-36-23(43)24-39-38-21(45-24)7-3-16(27)12-41-13-20(37-40-41)22(42)35-9-14-8-18(5-6-19(14)28)44-26(31,32)33;1-25(28,29)43-19-4-2-3-15(9-19)11-34-22(41)20-14-40(39-36-20)13-17(27)5-6-21-37-38-24(44-21)23(42)35-12-18-10-16(7-8-33-18)26(30,31)32/h2*3-10,13,16-17,20,22H,2,11-12,14-15H2,1H3,(H,32,40)(H,33,41);2,4-6,8,10,13,16H,3,7,9,11-12H2,1H3,(H,35,42)(H,36,43);2-4,7-10,14,17H,5-6,11-13H2,1H3,(H,34,41)(H,35,42)/t2*20?,22-;;/m10../s1.
What are the key properties of 5-[4-[4-[[3-(1,1-difluoroethoxy)phenyl]methylcarbamoyl]triazol-1-yl]-3-fluorobutyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]-1,3,4-thiadiazole-2-carboxamide;N-[[5-(1,1-difluoroethyl)-2-pyridinyl]methyl]-5-[3-fluoro-4-[4-[[2-fluoro-5-(trifluoromethoxy)phenyl]methylcarbamoyl]triazol-1-yl]butyl]-1,3,4-thiadiazole-2-carboxamide;1-[3-fluoro-4-[4-[[(1R)-1-phenylpropyl]carbamoyl]triazol-1-yl]butyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]triazole-4-carboxamide;1-[3-fluoro-4-[4-[[(1S)-1-phenylpropyl]carbamoyl]triazol-1-yl]butyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]triazole-4-carboxamide?
5-[4-[4-[[3-(1,1-difluoroethoxy)phenyl]methylcarbamoyl]triazol-1-yl]-3-fluorobutyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]-1,3,4-thiadiazole-2-carboxamide;N-[[5-(1,1-difluoroethyl)-2-pyridinyl]methyl]-5-[3-fluoro-4-[4-[[2-fluoro-5-(trifluoromethoxy)phenyl]methylcarbamoyl]triazol-1-yl]butyl]-1,3,4-thiadiazole-2-carboxamide;1-[3-fluoro-4-[4-[[(1R)-1-phenylpropyl]carbamoyl]triazol-1-yl]butyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]triazole-4-carboxamide;1-[3-fluoro-4-[4-[[(1S)-1-phenylpropyl]carbamoyl]triazol-1-yl]butyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]triazole-4-carboxamide has a molecular weight of 2480.29 g/mol, XLogP of 16.89, 52 rotatable bonds, 8 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[4-[[3-(1,1-difluoroethoxy)phenyl]methylcarbamoyl]triazol-1-yl]-3-fluorobutyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]-1,3,4-thiadiazole-2-carboxamide;N-[[5-(1,1-difluoroethyl)-2-pyridinyl]methyl]-5-[3-fluoro-4-[4-[[2-fluoro-5-(trifluoromethoxy)phenyl]methylcarbamoyl]triazol-1-yl]butyl]-1,3,4-thiadiazole-2-carboxamide;1-[3-fluoro-4-[4-[[(1R)-1-phenylpropyl]carbamoyl]triazol-1-yl]butyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]triazole-4-carboxamide;1-[3-fluoro-4-[4-[[(1S)-1-phenylpropyl]carbamoyl]triazol-1-yl]butyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]triazole-4-carboxamide is sourced from PubChem (CID 157274537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).