10275 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 16 7 7 7 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 2 2 3 3 3 4 4 4 5 5 5 6 8 8 9 9 11 11 12 12 13 6 10 7 10 7 19 20 10 21 22 6 8 9 7 11 14 12 15 13 16 13 17 18 1 1 1 2 1 1 1 1 1 1 1 2 1 2 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 2.8954 4.2044 5.4645 2.6166 3.7044 3.7044 4.5134 2.8384 4.5704 3.2044 2.8384 4.5704 3.7044 2.3014 5.1074 2.3014 5.1074 3.7044 5.9252 5.5934 2.8688 2 0.6307 1.5817 0.3216 2.3907 -0.9571 0.0429 0.6307 -1.4571 -1.4571 1.5817 -2.4571 -2.4571 -2.9571 -1.1471 -1.1471 -2.7671 -2.7671 -3.5771 0.7365 -0.2848 2.9571 2.3259 8 8 8 8 8 8 8 8 8 8 8 1 1 2 2 5 5 6 8 9 11 12 6 10 7 10 8 9 7 11 12 13 13 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 170 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C073000040000000000000000000000000016000000030000000000000000001C000001C04100000000C00815A0031B192481008A4022262640002F0A9610839089804204088882022E0911184200020800248C8271080800E00000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-phenylthiazole-2,4-diamine IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-phenylthiazole-2,4-diamine IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-phenyl-1,3-thiazole-2,4-diamine IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-phenyl-1,3-thiazole-2,4-diamine IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-phenyl-1,3-thiazole-2,4-diamine IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (2-amino-5-phenyl-thiazol-4-yl)amine InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C9H9N3S/c10-8-7(13-9(11)12-8)6-4-2-1-3-5-6/h1-5H,10H2,(H2,11,12) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 UPOYFZYFGWBUKL-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 1.9 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 191.05171847 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C9H9N3S Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 191.26 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C(C=C1)C2=C(N=C(S2)N)N SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C(C=C1)C2=C(N=C(S2)N)N Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 93.2 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 191.05171847 13 0 0 0 0 0 0 0 1 5