About N-[4-[3-[(3-chloro-4-methoxyphenyl)carbamoyl]phenyl]-1,3-thiazol-2-yl]-1,12-dimethyl-10-oxo-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-12-carboxamide;bis(N-[4-[3-[(3-chloro-4-methoxyphenyl)carbamoyl]phenyl]-1,3-thiazol-2-yl]-12-methyl-10-oxo-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-12-carboxamide);N-[4-[3-[(3-chloro-4-methoxyphenyl)carbamoyl]phenyl]-1,3-thiazol-2-yl]-12-methyl-10-sulfanylidene-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-12-carboxamide;N-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-12-methyl-10-sulfanylidene-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-12-carboxamide;12-methyl-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-10-sulfanylidene-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-12-carboxamide
N-[4-[3-[(3-chloro-4-methoxyphenyl)carbamoyl]phenyl]-1,3-thiazol-2-yl]-1,12-dimethyl-10-oxo-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-12-carboxamide;bis(N-[4-[3-[(3-chloro-4-methoxyphenyl)carbamoyl]phenyl]-1,3-thiazol-2-yl]-12-methyl-10-oxo-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-12-carboxamide);N-[4-[3-[(3-chloro-4-methoxyphenyl)carbamoyl]phenyl]-1,3-thiazol-2-yl]-12-methyl-10-sulfanylidene-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-12-carboxamide;N-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-12-methyl-10-sulfanylidene-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-12-carboxamide;12-methyl-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-10-sulfanylidene-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-12-carboxamide (PubChem CID 159799730) has the molecular formula C173H143Cl4FN22O17S9
and a molecular weight of 3251.60 g/mol. Its IUPAC name is N-[4-[3-[(3-chloro-4-methoxyphenyl)carbamoyl]phenyl]-1,3-thiazol-2-yl]-1,12-dimethyl-10-oxo-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-12-carboxamide;bis(N-[4-[3-[(3-chloro-4-methoxyphenyl)carbamoyl]phenyl]-1,3-thiazol-2-yl]-12-methyl-10-oxo-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-12-carboxamide);N-[4-[3-[(3-chloro-4-methoxyphenyl)carbamoyl]phenyl]-1,3-thiazol-2-yl]-12-methyl-10-sulfanylidene-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-12-carboxamide;N-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-12-methyl-10-sulfanylidene-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-12-carboxamide;12-methyl-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-10-sulfanylidene-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-12-carboxamide.
Frequently Asked Questions
What is the IUPAC name of N-[4-[3-[(3-chloro-4-methoxyphenyl)carbamoyl]phenyl]-1,3-thiazol-2-yl]-1,12-dimethyl-10-oxo-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-12-carboxamide;bis(N-[4-[3-[(3-chloro-4-methoxyphenyl)carbamoyl]phenyl]-1,3-thiazol-2-yl]-12-methyl-10-oxo-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-12-carboxamide);N-[4-[3-[(3-chloro-4-methoxyphenyl)carbamoyl]phenyl]-1,3-thiazol-2-yl]-12-methyl-10-sulfanylidene-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-12-carboxamide;N-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-12-methyl-10-sulfanylidene-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-12-carboxamide;12-methyl-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-10-sulfanylidene-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-12-carboxamide?
The IUPAC name of N-[4-[3-[(3-chloro-4-methoxyphenyl)carbamoyl]phenyl]-1,3-thiazol-2-yl]-1,12-dimethyl-10-oxo-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-12-carboxamide;bis(N-[4-[3-[(3-chloro-4-methoxyphenyl)carbamoyl]phenyl]-1,3-thiazol-2-yl]-12-methyl-10-oxo-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-12-carboxamide);N-[4-[3-[(3-chloro-4-methoxyphenyl)carbamoyl]phenyl]-1,3-thiazol-2-yl]-12-methyl-10-sulfanylidene-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-12-carboxamide;N-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-12-methyl-10-sulfanylidene-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-12-carboxamide;12-methyl-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-10-sulfanylidene-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-12-carboxamide (CID 159799730) is N-[4-[3-[(3-chloro-4-methoxyphenyl)carbamoyl]phenyl]-1,3-thiazol-2-yl]-1,12-dimethyl-10-oxo-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-12-carboxamide;bis(N-[4-[3-[(3-chloro-4-methoxyphenyl)carbamoyl]phenyl]-1,3-thiazol-2-yl]-12-methyl-10-oxo-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-12-carboxamide);N-[4-[3-[(3-chloro-4-methoxyphenyl)carbamoyl]phenyl]-1,3-thiazol-2-yl]-12-methyl-10-sulfanylidene-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-12-carboxamide;N-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-12-methyl-10-sulfanylidene-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-12-carboxamide;12-methyl-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-10-sulfanylidene-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-12-carboxamide.
What is the SMILES notation for N-[4-[3-[(3-chloro-4-methoxyphenyl)carbamoyl]phenyl]-1,3-thiazol-2-yl]-1,12-dimethyl-10-oxo-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-12-carboxamide;bis(N-[4-[3-[(3-chloro-4-methoxyphenyl)carbamoyl]phenyl]-1,3-thiazol-2-yl]-12-methyl-10-oxo-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-12-carboxamide);N-[4-[3-[(3-chloro-4-methoxyphenyl)carbamoyl]phenyl]-1,3-thiazol-2-yl]-12-methyl-10-sulfanylidene-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-12-carboxamide;N-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-12-methyl-10-sulfanylidene-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-12-carboxamide;12-methyl-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-10-sulfanylidene-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-12-carboxamide?
The canonical SMILES for N-[4-[3-[(3-chloro-4-methoxyphenyl)carbamoyl]phenyl]-1,3-thiazol-2-yl]-1,12-dimethyl-10-oxo-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-12-carboxamide;bis(N-[4-[3-[(3-chloro-4-methoxyphenyl)carbamoyl]phenyl]-1,3-thiazol-2-yl]-12-methyl-10-oxo-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-12-carboxamide);N-[4-[3-[(3-chloro-4-methoxyphenyl)carbamoyl]phenyl]-1,3-thiazol-2-yl]-12-methyl-10-sulfanylidene-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-12-carboxamide;N-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-12-methyl-10-sulfanylidene-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-12-carboxamide;12-methyl-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-10-sulfanylidene-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-12-carboxamide is CC1(C(=O)Nc2nc(-c3ccc(F)c4ccccc34)cs2)CC2C(=S)NC1c1ccccc12.CC1(C(=O)Nc2nc(-c3cccc4ccccc34)cs2)CC2C(=S)NC1c1ccccc12.COc1ccc(NC(=O)c2cccc(-c3csc(NC(=O)C4(C)CC5(C)C(=O)NC4c4ccccc45)n3)c2)cc1Cl.COc1ccc(NC(=O)c2cccc(-c3csc(NC(=O)C4(C)CC5C(=O)NC4c4ccccc45)n3)c2)cc1Cl.COc1ccc(NC(=O)c2cccc(-c3csc(NC(=O)C4(C)CC5C(=O)NC4c4ccccc45)n3)c2)cc1Cl.COc1ccc(NC(=O)c2cccc(-c3csc(NC(=O)C4(C)CC5C(=S)NC4c4ccccc45)n3)c2)cc1Cl.
What is the InChIKey of N-[4-[3-[(3-chloro-4-methoxyphenyl)carbamoyl]phenyl]-1,3-thiazol-2-yl]-1,12-dimethyl-10-oxo-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-12-carboxamide;bis(N-[4-[3-[(3-chloro-4-methoxyphenyl)carbamoyl]phenyl]-1,3-thiazol-2-yl]-12-methyl-10-oxo-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-12-carboxamide);N-[4-[3-[(3-chloro-4-methoxyphenyl)carbamoyl]phenyl]-1,3-thiazol-2-yl]-12-methyl-10-sulfanylidene-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-12-carboxamide;N-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-12-methyl-10-sulfanylidene-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-12-carboxamide;12-methyl-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-10-sulfanylidene-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-12-carboxamide?
The InChIKey is NJQBGNJGSUYXPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27ClN4O4S.2C30H25ClN4O4S.C30H25ClN4O3S2.C26H20FN3OS2.C26H21N3OS2/c1-30-16-31(2,25(35-27(30)38)20-9-4-5-10-21(20)30)28(39)36-29-34-23(15-41-29)17-7-6-8-18(13-17)26(37)33-19-11-12-24(40-3)22(32)14-19;2*1-30(14-21-19-8-3-4-9-20(19)25(30)34-27(21)37)28(38)35-29-33-23(15-40-29)16-6-5-7-17(12-16)26(36)32-18-10-11-24(39-2)22(31)13-18;1-30(14-21-19-8-3-4-9-20(19)25(30)34-27(21)39)28(37)35-29-33-23(15-40-29)16-6-5-7-17(12-16)26(36)32-18-10-11-24(38-2)22(31)13-18;1-26(12-19-15-7-3-5-9-18(15)22(26)29-23(19)32)24(31)30-25-28-21(13-33-25)17-10-11-20(27)16-8-4-2-6-14(16)17;1-26(13-20-17-10-4-5-11-19(17)22(26)28-23(20)31)24(30)29-25-27-21(14-32-25)18-12-6-8-15-7-2-3-9-16(15)18/h4-15,25H,16H2,1-3H3,(H,33,37)(H,35,38)(H,34,36,39);2*3-13,15,21,25H,14H2,1-2H3,(H,32,36)(H,34,37)(H,33,35,38);3-13,15,21,25H,14H2,1-2H3,(H,32,36)(H,34,39)(H,33,35,37);2-11,13,19,22H,12H2,1H3,(H,29,32)(H,28,30,31);2-12,14,20,22H,13H2,1H3,(H,28,31)(H,27,29,30).
What are the key properties of N-[4-[3-[(3-chloro-4-methoxyphenyl)carbamoyl]phenyl]-1,3-thiazol-2-yl]-1,12-dimethyl-10-oxo-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-12-carboxamide;bis(N-[4-[3-[(3-chloro-4-methoxyphenyl)carbamoyl]phenyl]-1,3-thiazol-2-yl]-12-methyl-10-oxo-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-12-carboxamide);N-[4-[3-[(3-chloro-4-methoxyphenyl)carbamoyl]phenyl]-1,3-thiazol-2-yl]-12-methyl-10-sulfanylidene-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-12-carboxamide;N-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-12-methyl-10-sulfanylidene-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-12-carboxamide;12-methyl-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-10-sulfanylidene-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-12-carboxamide?
N-[4-[3-[(3-chloro-4-methoxyphenyl)carbamoyl]phenyl]-1,3-thiazol-2-yl]-1,12-dimethyl-10-oxo-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-12-carboxamide;bis(N-[4-[3-[(3-chloro-4-methoxyphenyl)carbamoyl]phenyl]-1,3-thiazol-2-yl]-12-methyl-10-oxo-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-12-carboxamide);N-[4-[3-[(3-chloro-4-methoxyphenyl)carbamoyl]phenyl]-1,3-thiazol-2-yl]-12-methyl-10-sulfanylidene-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-12-carboxamide;N-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-12-methyl-10-sulfanylidene-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-12-carboxamide;12-methyl-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-10-sulfanylidene-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-12-carboxamide has a molecular weight of 3251.60 g/mol, XLogP of 37.36, 30 rotatable bonds, 16 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-[(3-chloro-4-methoxyphenyl)carbamoyl]phenyl]-1,3-thiazol-2-yl]-1,12-dimethyl-10-oxo-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-12-carboxamide;bis(N-[4-[3-[(3-chloro-4-methoxyphenyl)carbamoyl]phenyl]-1,3-thiazol-2-yl]-12-methyl-10-oxo-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-12-carboxamide);N-[4-[3-[(3-chloro-4-methoxyphenyl)carbamoyl]phenyl]-1,3-thiazol-2-yl]-12-methyl-10-sulfanylidene-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-12-carboxamide;N-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-12-methyl-10-sulfanylidene-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-12-carboxamide;12-methyl-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-10-sulfanylidene-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-12-carboxamide is sourced from PubChem (CID 159799730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).