About [4-(aminomethyl)piperidin-1-yl]-[3-[[4-(1,3-benzothiazol-6-ylmethyl)-5-chloropyrimidin-2-yl]methyl]phenyl]methanone;4-N-(4-aminophenyl)-2-N-(1,3-benzothiazol-6-yl)-6-propan-2-yl-1,3,5-triazine-2,4-diamine;(4-aminopiperidin-1-yl)-[3-[[4-(1,3-benzothiazol-6-ylmethyl)-5-chloropyrimidin-2-yl]methyl]phenyl]methanone;2-N-(1,3-benzothiazol-6-yl)-4-N-(3-bromophenyl)-6-propan-2-yl-1,3,5-triazine-2,4-diamine;2-N-(1,3-benzothiazol-6-yl)-4-N-(4-bromophenyl)-6-propan-2-yl-1,3,5-triazine-2,4-diamine;[3-[[4-(1,3-benzothiazol-6-ylmethyl)-5-chloropyrimidin-2-yl]methyl]phenyl]-(4-methylpiperazin-1-yl)methanone;4-N-(3-bromophenyl)-2-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-propan-2-yl-1,3,5-triazine-2,4-diamine;4-N-(4-bromophenyl)-2-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-propan-2-yl-1,3,5-triazine-2,4-diamine
[4-(aminomethyl)piperidin-1-yl]-[3-[[4-(1,3-benzothiazol-6-ylmethyl)-5-chloropyrimidin-2-yl]methyl]phenyl]methanone;4-N-(4-aminophenyl)-2-N-(1,3-benzothiazol-6-yl)-6-propan-2-yl-1,3,5-triazine-2,4-diamine;(4-aminopiperidin-1-yl)-[3-[[4-(1,3-benzothiazol-6-ylmethyl)-5-chloropyrimidin-2-yl]methyl]phenyl]methanone;2-N-(1,3-benzothiazol-6-yl)-4-N-(3-bromophenyl)-6-propan-2-yl-1,3,5-triazine-2,4-diamine;2-N-(1,3-benzothiazol-6-yl)-4-N-(4-bromophenyl)-6-propan-2-yl-1,3,5-triazine-2,4-diamine;[3-[[4-(1,3-benzothiazol-6-ylmethyl)-5-chloropyrimidin-2-yl]methyl]phenyl]-(4-methylpiperazin-1-yl)methanone;4-N-(3-bromophenyl)-2-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-propan-2-yl-1,3,5-triazine-2,4-diamine;4-N-(4-bromophenyl)-2-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-propan-2-yl-1,3,5-triazine-2,4-diamine (PubChem CID 158655460) has the molecular formula C169H167Br4Cl3N48O3S6
and a molecular weight of 3536.90 g/mol. Its IUPAC name is [4-(aminomethyl)piperidin-1-yl]-[3-[[4-(1,3-benzothiazol-6-ylmethyl)-5-chloropyrimidin-2-yl]methyl]phenyl]methanone;4-N-(4-aminophenyl)-2-N-(1,3-benzothiazol-6-yl)-6-propan-2-yl-1,3,5-triazine-2,4-diamine;(4-aminopiperidin-1-yl)-[3-[[4-(1,3-benzothiazol-6-ylmethyl)-5-chloropyrimidin-2-yl]methyl]phenyl]methanone;2-N-(1,3-benzothiazol-6-yl)-4-N-(3-bromophenyl)-6-propan-2-yl-1,3,5-triazine-2,4-diamine;2-N-(1,3-benzothiazol-6-yl)-4-N-(4-bromophenyl)-6-propan-2-yl-1,3,5-triazine-2,4-diamine;[3-[[4-(1,3-benzothiazol-6-ylmethyl)-5-chloropyrimidin-2-yl]methyl]phenyl]-(4-methylpiperazin-1-yl)methanone;4-N-(3-bromophenyl)-2-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-propan-2-yl-1,3,5-triazine-2,4-diamine;4-N-(4-bromophenyl)-2-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-propan-2-yl-1,3,5-triazine-2,4-diamine.
Frequently Asked Questions
What is the IUPAC name of [4-(aminomethyl)piperidin-1-yl]-[3-[[4-(1,3-benzothiazol-6-ylmethyl)-5-chloropyrimidin-2-yl]methyl]phenyl]methanone;4-N-(4-aminophenyl)-2-N-(1,3-benzothiazol-6-yl)-6-propan-2-yl-1,3,5-triazine-2,4-diamine;(4-aminopiperidin-1-yl)-[3-[[4-(1,3-benzothiazol-6-ylmethyl)-5-chloropyrimidin-2-yl]methyl]phenyl]methanone;2-N-(1,3-benzothiazol-6-yl)-4-N-(3-bromophenyl)-6-propan-2-yl-1,3,5-triazine-2,4-diamine;2-N-(1,3-benzothiazol-6-yl)-4-N-(4-bromophenyl)-6-propan-2-yl-1,3,5-triazine-2,4-diamine;[3-[[4-(1,3-benzothiazol-6-ylmethyl)-5-chloropyrimidin-2-yl]methyl]phenyl]-(4-methylpiperazin-1-yl)methanone;4-N-(3-bromophenyl)-2-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-propan-2-yl-1,3,5-triazine-2,4-diamine;4-N-(4-bromophenyl)-2-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-propan-2-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of [4-(aminomethyl)piperidin-1-yl]-[3-[[4-(1,3-benzothiazol-6-ylmethyl)-5-chloropyrimidin-2-yl]methyl]phenyl]methanone;4-N-(4-aminophenyl)-2-N-(1,3-benzothiazol-6-yl)-6-propan-2-yl-1,3,5-triazine-2,4-diamine;(4-aminopiperidin-1-yl)-[3-[[4-(1,3-benzothiazol-6-ylmethyl)-5-chloropyrimidin-2-yl]methyl]phenyl]methanone;2-N-(1,3-benzothiazol-6-yl)-4-N-(3-bromophenyl)-6-propan-2-yl-1,3,5-triazine-2,4-diamine;2-N-(1,3-benzothiazol-6-yl)-4-N-(4-bromophenyl)-6-propan-2-yl-1,3,5-triazine-2,4-diamine;[3-[[4-(1,3-benzothiazol-6-ylmethyl)-5-chloropyrimidin-2-yl]methyl]phenyl]-(4-methylpiperazin-1-yl)methanone;4-N-(3-bromophenyl)-2-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-propan-2-yl-1,3,5-triazine-2,4-diamine;4-N-(4-bromophenyl)-2-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-propan-2-yl-1,3,5-triazine-2,4-diamine (CID 158655460) is [4-(aminomethyl)piperidin-1-yl]-[3-[[4-(1,3-benzothiazol-6-ylmethyl)-5-chloropyrimidin-2-yl]methyl]phenyl]methanone;4-N-(4-aminophenyl)-2-N-(1,3-benzothiazol-6-yl)-6-propan-2-yl-1,3,5-triazine-2,4-diamine;(4-aminopiperidin-1-yl)-[3-[[4-(1,3-benzothiazol-6-ylmethyl)-5-chloropyrimidin-2-yl]methyl]phenyl]methanone;2-N-(1,3-benzothiazol-6-yl)-4-N-(3-bromophenyl)-6-propan-2-yl-1,3,5-triazine-2,4-diamine;2-N-(1,3-benzothiazol-6-yl)-4-N-(4-bromophenyl)-6-propan-2-yl-1,3,5-triazine-2,4-diamine;[3-[[4-(1,3-benzothiazol-6-ylmethyl)-5-chloropyrimidin-2-yl]methyl]phenyl]-(4-methylpiperazin-1-yl)methanone;4-N-(3-bromophenyl)-2-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-propan-2-yl-1,3,5-triazine-2,4-diamine;4-N-(4-bromophenyl)-2-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-propan-2-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for [4-(aminomethyl)piperidin-1-yl]-[3-[[4-(1,3-benzothiazol-6-ylmethyl)-5-chloropyrimidin-2-yl]methyl]phenyl]methanone;4-N-(4-aminophenyl)-2-N-(1,3-benzothiazol-6-yl)-6-propan-2-yl-1,3,5-triazine-2,4-diamine;(4-aminopiperidin-1-yl)-[3-[[4-(1,3-benzothiazol-6-ylmethyl)-5-chloropyrimidin-2-yl]methyl]phenyl]methanone;2-N-(1,3-benzothiazol-6-yl)-4-N-(3-bromophenyl)-6-propan-2-yl-1,3,5-triazine-2,4-diamine;2-N-(1,3-benzothiazol-6-yl)-4-N-(4-bromophenyl)-6-propan-2-yl-1,3,5-triazine-2,4-diamine;[3-[[4-(1,3-benzothiazol-6-ylmethyl)-5-chloropyrimidin-2-yl]methyl]phenyl]-(4-methylpiperazin-1-yl)methanone;4-N-(3-bromophenyl)-2-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-propan-2-yl-1,3,5-triazine-2,4-diamine;4-N-(4-bromophenyl)-2-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-propan-2-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for [4-(aminomethyl)piperidin-1-yl]-[3-[[4-(1,3-benzothiazol-6-ylmethyl)-5-chloropyrimidin-2-yl]methyl]phenyl]methanone;4-N-(4-aminophenyl)-2-N-(1,3-benzothiazol-6-yl)-6-propan-2-yl-1,3,5-triazine-2,4-diamine;(4-aminopiperidin-1-yl)-[3-[[4-(1,3-benzothiazol-6-ylmethyl)-5-chloropyrimidin-2-yl]methyl]phenyl]methanone;2-N-(1,3-benzothiazol-6-yl)-4-N-(3-bromophenyl)-6-propan-2-yl-1,3,5-triazine-2,4-diamine;2-N-(1,3-benzothiazol-6-yl)-4-N-(4-bromophenyl)-6-propan-2-yl-1,3,5-triazine-2,4-diamine;[3-[[4-(1,3-benzothiazol-6-ylmethyl)-5-chloropyrimidin-2-yl]methyl]phenyl]-(4-methylpiperazin-1-yl)methanone;4-N-(3-bromophenyl)-2-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-propan-2-yl-1,3,5-triazine-2,4-diamine;4-N-(4-bromophenyl)-2-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-propan-2-yl-1,3,5-triazine-2,4-diamine is CC(C)c1nc(Nc2ccc(Br)cc2)nc(Nc2cc(C3CC3)[nH]n2)n1.CC(C)c1nc(Nc2ccc(Br)cc2)nc(Nc2ccc3ncsc3c2)n1.CC(C)c1nc(Nc2ccc(N)cc2)nc(Nc2ccc3ncsc3c2)n1.CC(C)c1nc(Nc2cccc(Br)c2)nc(Nc2cc(C3CC3)[nH]n2)n1.CC(C)c1nc(Nc2cccc(Br)c2)nc(Nc2ccc3ncsc3c2)n1.CN1CCN(C(=O)c2cccc(Cc3ncc(Cl)c(Cc4ccc5ncsc5c4)n3)c2)CC1.NC1CCN(C(=O)c2cccc(Cc3ncc(Cl)c(Cc4ccc5ncsc5c4)n3)c2)CC1.NCC1CCN(C(=O)c2cccc(Cc3ncc(Cl)c(Cc4ccc5ncsc5c4)n3)c2)CC1.
What is the InChIKey of [4-(aminomethyl)piperidin-1-yl]-[3-[[4-(1,3-benzothiazol-6-ylmethyl)-5-chloropyrimidin-2-yl]methyl]phenyl]methanone;4-N-(4-aminophenyl)-2-N-(1,3-benzothiazol-6-yl)-6-propan-2-yl-1,3,5-triazine-2,4-diamine;(4-aminopiperidin-1-yl)-[3-[[4-(1,3-benzothiazol-6-ylmethyl)-5-chloropyrimidin-2-yl]methyl]phenyl]methanone;2-N-(1,3-benzothiazol-6-yl)-4-N-(3-bromophenyl)-6-propan-2-yl-1,3,5-triazine-2,4-diamine;2-N-(1,3-benzothiazol-6-yl)-4-N-(4-bromophenyl)-6-propan-2-yl-1,3,5-triazine-2,4-diamine;[3-[[4-(1,3-benzothiazol-6-ylmethyl)-5-chloropyrimidin-2-yl]methyl]phenyl]-(4-methylpiperazin-1-yl)methanone;4-N-(3-bromophenyl)-2-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-propan-2-yl-1,3,5-triazine-2,4-diamine;4-N-(4-bromophenyl)-2-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-propan-2-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is ICBPQJPEAZLOMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClN5OS.2C25H24ClN5OS.2C19H17BrN6S.C19H19N7S.2C18H20BrN7/c27-21-15-29-25(31-23(21)11-19-4-5-22-24(12-19)34-16-30-22)13-18-2-1-3-20(10-18)26(33)32-8-6-17(14-28)7-9-32;1-30-7-9-31(10-8-30)25(32)19-4-2-3-17(11-19)14-24-27-15-20(26)22(29-24)12-18-5-6-21-23(13-18)33-16-28-21;26-20-14-28-24(30-22(20)11-17-4-5-21-23(12-17)33-15-29-21)13-16-2-1-3-18(10-16)25(32)31-8-6-19(27)7-9-31;1-11(2)17-24-18(22-13-5-3-12(20)4-6-13)26-19(25-17)23-14-7-8-15-16(9-14)27-10-21-15;1-11(2)17-24-18(22-13-5-3-4-12(20)8-13)26-19(25-17)23-14-6-7-15-16(9-14)27-10-21-15;1-11(2)17-24-18(22-13-5-3-12(20)4-6-13)26-19(25-17)23-14-7-8-15-16(9-14)27-10-21-15;1-10(2)16-22-17(20-13-7-5-12(19)6-8-13)24-18(23-16)21-15-9-14(25-26-15)11-3-4-11;1-10(2)16-22-17(20-13-5-3-4-12(19)8-13)24-18(23-16)21-15-9-14(25-26-15)11-6-7-11/h1-5,10,12,15-17H,6-9,11,13-14,28H2;2-6,11,13,15-16H,7-10,12,14H2,1H3;1-5,10,12,14-15,19H,6-9,11,13,27H2;2*3-11H,1-2H3,(H2,22,23,24,25,26);3-11H,20H2,1-2H3,(H2,22,23,24,25,26);5-11H,3-4H2,1-2H3,(H3,20,21,22,23,24,25,26);3-5,8-11H,6-7H2,1-2H3,(H3,20,21,22,23,24,25,26).
What are the key properties of [4-(aminomethyl)piperidin-1-yl]-[3-[[4-(1,3-benzothiazol-6-ylmethyl)-5-chloropyrimidin-2-yl]methyl]phenyl]methanone;4-N-(4-aminophenyl)-2-N-(1,3-benzothiazol-6-yl)-6-propan-2-yl-1,3,5-triazine-2,4-diamine;(4-aminopiperidin-1-yl)-[3-[[4-(1,3-benzothiazol-6-ylmethyl)-5-chloropyrimidin-2-yl]methyl]phenyl]methanone;2-N-(1,3-benzothiazol-6-yl)-4-N-(3-bromophenyl)-6-propan-2-yl-1,3,5-triazine-2,4-diamine;2-N-(1,3-benzothiazol-6-yl)-4-N-(4-bromophenyl)-6-propan-2-yl-1,3,5-triazine-2,4-diamine;[3-[[4-(1,3-benzothiazol-6-ylmethyl)-5-chloropyrimidin-2-yl]methyl]phenyl]-(4-methylpiperazin-1-yl)methanone;4-N-(3-bromophenyl)-2-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-propan-2-yl-1,3,5-triazine-2,4-diamine;4-N-(4-bromophenyl)-2-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-propan-2-yl-1,3,5-triazine-2,4-diamine?
[4-(aminomethyl)piperidin-1-yl]-[3-[[4-(1,3-benzothiazol-6-ylmethyl)-5-chloropyrimidin-2-yl]methyl]phenyl]methanone;4-N-(4-aminophenyl)-2-N-(1,3-benzothiazol-6-yl)-6-propan-2-yl-1,3,5-triazine-2,4-diamine;(4-aminopiperidin-1-yl)-[3-[[4-(1,3-benzothiazol-6-ylmethyl)-5-chloropyrimidin-2-yl]methyl]phenyl]methanone;2-N-(1,3-benzothiazol-6-yl)-4-N-(3-bromophenyl)-6-propan-2-yl-1,3,5-triazine-2,4-diamine;2-N-(1,3-benzothiazol-6-yl)-4-N-(4-bromophenyl)-6-propan-2-yl-1,3,5-triazine-2,4-diamine;[3-[[4-(1,3-benzothiazol-6-ylmethyl)-5-chloropyrimidin-2-yl]methyl]phenyl]-(4-methylpiperazin-1-yl)methanone;4-N-(3-bromophenyl)-2-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-propan-2-yl-1,3,5-triazine-2,4-diamine;4-N-(4-bromophenyl)-2-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-propan-2-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 3536.90 g/mol, XLogP of 39.60, 43 rotatable bonds, 15 hydrogen bond donors, and 52 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)piperidin-1-yl]-[3-[[4-(1,3-benzothiazol-6-ylmethyl)-5-chloropyrimidin-2-yl]methyl]phenyl]methanone;4-N-(4-aminophenyl)-2-N-(1,3-benzothiazol-6-yl)-6-propan-2-yl-1,3,5-triazine-2,4-diamine;(4-aminopiperidin-1-yl)-[3-[[4-(1,3-benzothiazol-6-ylmethyl)-5-chloropyrimidin-2-yl]methyl]phenyl]methanone;2-N-(1,3-benzothiazol-6-yl)-4-N-(3-bromophenyl)-6-propan-2-yl-1,3,5-triazine-2,4-diamine;2-N-(1,3-benzothiazol-6-yl)-4-N-(4-bromophenyl)-6-propan-2-yl-1,3,5-triazine-2,4-diamine;[3-[[4-(1,3-benzothiazol-6-ylmethyl)-5-chloropyrimidin-2-yl]methyl]phenyl]-(4-methylpiperazin-1-yl)methanone;4-N-(3-bromophenyl)-2-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-propan-2-yl-1,3,5-triazine-2,4-diamine;4-N-(4-bromophenyl)-2-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-propan-2-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 158655460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).