46907703 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 16 7 7 7 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 3 3 3 4 4 5 5 6 6 6 7 7 7 7 8 8 8 9 9 9 10 10 11 11 14 14 15 16 16 17 18 18 19 19 20 20 21 22 22 23 24 24 24 25 25 25 13 16 10 11 13 12 14 35 12 15 13 17 21 24 25 8 9 12 26 10 27 28 11 29 30 31 32 33 34 15 36 37 17 18 38 19 20 21 39 23 40 22 23 41 42 43 44 45 46 47 48 1 1 1 1 1 1 1 1 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 1 2 1 1 1 2 1 2 1 1 1 1 1 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 5.4434 6.2524 5.4434 7.0614 7.0614 2.5878 6.2524 5.3864 7.1184 5.3864 7.1184 6.2524 6.2524 5.7524 6.7524 5.7524 6.7524 5.1646 4.1701 5.5714 3.5823 3.989 4.9836 2 2.181 6.7893 5.1743 4.7758 7.729 7.3305 4.7758 5.1743 7.3305 7.729 4.8537 5.388 7.1168 7.1168 3.9179 6.188 3.6246 5.2357 1.4984 1.6356 2.5016 2.7474 1.9289 1.6146 -1.322 0.2658 3.8536 3.8536 -1.322 -3.682 2.2658 1.7658 1.7658 0.7658 0.7658 3.2658 -0.7342 4.8046 4.8046 -2.273 -2.273 -3.0821 -2.9775 -3.9956 -3.7866 -4.7001 -4.8046 -4.4911 -2.7685 2.5758 2.3484 1.6581 1.6581 2.3484 0.8735 0.1832 0.1832 0.8735 3.662 5.3062 5.3062 -2.7746 -2.4111 -4.0604 -5.2017 -5.371 -4.1266 -4.9926 -4.8555 -2.5163 -2.2021 -3.0207 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 1 1 3 3 4 4 5 5 14 16 18 18 19 20 21 22 13 16 12 14 12 15 13 17 15 17 19 20 21 23 22 23 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 426 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 5 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07B8000400000000000000000000000000162C000003C400000000000000001F000001C04100000000D08C15B043FD197C99008A4023667640082F0ADF11AB849D98C387488886822E09991942008689002C8C8271080800E00000040000000000000008000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-[2-[4-(1H-imidazol-2-yl)-1-piperidyl]thiazol-5-yl]-N,N-dimethyl-aniline IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-[2-[4-(1H-imidazol-2-yl)-1-piperidinyl]-5-thiazolyl]-N,N-dimethylaniline IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-[2-[4-(1<I>H</I>-imidazol-2-yl)piperidin-1-yl]-1,3-thiazol-5-yl]-<I>N</I>,<I>N</I>-dimethylaniline IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-[2-[4-(1H-imidazol-2-yl)piperidin-1-yl]-1,3-thiazol-5-yl]-N,N-dimethylaniline IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-[2-[4-(1H-imidazol-2-yl)piperidin-1-yl]-1,3-thiazol-5-yl]-N,N-dimethyl-aniline IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 [3-[2-[4-(1H-imidazol-2-yl)piperidino]thiazol-5-yl]phenyl]-dimethyl-amine InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C19H23N5S/c1-23(2)16-5-3-4-15(12-16)17-13-22-19(25-17)24-10-6-14(7-11-24)18-20-8-9-21-18/h3-5,8-9,12-14H,6-7,10-11H2,1-2H3,(H,20,21) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 USOVXWOFKVQPGI-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 3.6 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 353.16741693 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C19H23N5S Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 353.5 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CN(C)C1=CC=CC(=C1)C2=CN=C(S2)N3CCC(CC3)C4=NC=CN4 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CN(C)C1=CC=CC(=C1)C2=CN=C(S2)N3CCC(CC3)C4=NC=CN4 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 76.3 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 353.16741693 25 0 0 0 0 0 0 0 1 -1