897193 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 17 16 8 7 7 7 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 2 2 3 4 4 5 5 5 6 6 6 7 7 7 8 10 10 11 11 12 13 13 14 14 15 15 18 18 19 19 20 20 21 21 22 17 9 12 16 8 9 9 16 26 13 16 29 8 10 11 12 14 23 15 24 25 18 19 17 27 17 28 20 30 21 31 22 32 22 33 34 1 1 1 2 1 2 1 1 1 1 1 1 1 2 1 2 1 1 2 1 1 2 1 2 1 1 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 2.866 2.366 2.5526 3.675 3.9538 4.1349 2.866 2.866 3.366 3.732 2 2.057 3.7281 3.732 2 3.5471 2.866 4.3159 2.7336 3.9092 2.3269 2.9146 4.269 1.4631 1.4674 4.5704 4.269 1.4631 4.7515 4.9325 2.3692 4.2736 1.7103 2.6625 -5.4055 0.1333 1.9604 -0.8177 0.9423 2.6649 -2.4055 -1.4055 0.1333 -2.9055 -2.9055 -0.8177 3.5784 -3.9055 -3.9055 1.8559 -4.4055 4.3874 3.683 5.301 4.5965 5.4055 -2.5955 -2.5955 -1.0093 0.8775 -4.2155 -4.2155 2.6001 4.3226 3.1814 5.8026 4.6613 5.9719 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 2 2 4 4 7 7 8 10 11 13 13 14 15 18 19 20 21 9 12 8 9 10 11 12 14 15 18 19 17 17 20 21 22 22 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 370 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 3 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 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C07B200044000000000000000000000000016000000030600000000000000001D000001E06100000000C0A855E20B1D192C81008AC032462740082F0A9610F390988343066988820A2E1939184200868950248C8271080800E04000000000000000800000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-[4-(4-chlorophenyl)thiazol-2-yl]-3-phenyl-urea IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-[4-(4-chlorophenyl)-2-thiazolyl]-3-phenylurea IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-phenylurea IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-phenylurea IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-phenyl-urea IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-[4-(4-chlorophenyl)thiazol-2-yl]-3-phenyl-urea InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C16H12ClN3OS/c17-12-8-6-11(7-9-12)14-10-22-16(19-14)20-15(21)18-13-4-2-1-3-5-13/h1-10H,(H2,18,19,20,21) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 FUKVIPWUDGTFMX-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 4.1 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 329.0389609 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C16H12ClN3OS Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 329.8 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C(C=C1)NC(=O)NC2=NC(=CS2)C3=CC=C(C=C3)Cl SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C(C=C1)NC(=O)NC2=NC(=CS2)C3=CC=C(C=C3)Cl Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 82.3 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 329.0389609 22 0 0 0 0 0 0 0 1 -1