889170 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 16 16 8 7 7 7 7 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 2 3 4 4 4 5 5 5 6 6 6 7 7 7 8 8 8 9 9 9 10 10 11 11 12 13 13 13 14 17 17 18 18 19 19 20 20 21 21 22 14 16 16 12 8 9 12 10 11 13 15 16 17 15 34 35 10 23 24 11 25 26 27 28 29 30 14 31 32 33 15 18 19 20 36 21 37 22 38 22 39 40 1 1 2 2 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 1 2 2 1 1 1 2 1 2 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 3.9771 2.3135 6.6227 5.7567 5.7567 3.808 5.5293 6.6227 4.8907 6.6227 4.8907 5.7567 5.7567 4.8907 4.7861 3.308 3.4013 2.4067 3.989 2 3.5823 2.5878 6.8348 7.2333 4.2801 4.6786 7.2333 6.8348 4.6786 4.2801 6.3767 5.7567 5.1367 6.1189 5.4004 2.0423 4.6056 1.3834 3.9467 2.3356 0.1283 -0.5103 -0.2785 1.2215 3.2215 -1.4809 -1.9421 1.7215 1.7215 2.7215 2.7215 0.2215 4.2215 -0.2785 -1.273 -0.6149 -2.3944 -2.499 -3.2035 -3.4125 -4.117 -4.2215 1.1389 1.8292 1.8292 1.1389 2.6139 3.3041 3.3041 2.6139 4.2215 4.8415 4.2215 -1.7505 -2.5486 -1.9974 -3.1386 -3.4773 -4.6186 -4.7879 8 8 8 8 8 8 8 8 8 8 8 1 1 6 6 14 17 17 18 19 20 21 14 16 15 16 15 18 19 20 21 22 22 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 494 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 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E073A0006000000000000000000000000001000000003C4000000000000000010000001E04100000000808C1D00433C0834000088C00255250008200006102180888000864C8886022C09191942008608602C8C8671000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (4-amino-3-phenyl-2-thioxo-thiazol-5-yl)-(4-methylpiperazin-1-yl)methanone IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (4-amino-3-phenyl-2-sulfanylidene-5-thiazolyl)-(4-methyl-1-piperazinyl)methanone IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (4-amino-3-phenyl-2-sulfanylidene-1,3-thiazol-5-yl)-(4-methylpiperazin-1-yl)methanone IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (4-amino-3-phenyl-2-sulfanylidene-1,3-thiazol-5-yl)-(4-methylpiperazin-1-yl)methanone IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (4-azanyl-3-phenyl-2-sulfanylidene-1,3-thiazol-5-yl)-(4-methylpiperazin-1-yl)methanone IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (4-amino-3-phenyl-2-thioxo-4-thiazolin-5-yl)-(4-methylpiperazino)methanone InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C15H18N4OS2/c1-17-7-9-18(10-8-17)14(20)12-13(16)19(15(21)22-12)11-5-3-2-4-6-11/h2-6H,7-10,16H2,1H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 XEANEUCWOMKWJS-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 2.2 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 334.09220356 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C15H18N4OS2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 334.5 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CN1CCN(CC1)C(=O)C2=C(N(C(=S)S2)C3=CC=CC=C3)N SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CN1CCN(CC1)C(=O)C2=C(N(C(=S)S2)C3=CC=CC=C3)N Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 110 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 334.09220356 22 0 0 0 0 0 0 0 1 -1