70680658 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 16 16 16 8 8 8 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 1 2 2 3 3 6 7 7 8 8 9 9 9 10 10 10 11 11 11 12 12 13 13 14 14 15 15 16 16 17 17 17 18 19 20 21 23 24 24 24 4 5 7 14 12 13 21 22 23 10 11 20 22 22 23 38 12 25 26 13 27 28 29 30 31 32 15 16 18 33 19 34 18 19 20 35 36 21 37 24 39 40 41 2 2 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 2 1 1 1 1 2 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 3 3 2.5 4 2 2.6865 3 3.809 4.0878 2.134 3.866 2.134 3.866 3 2.134 3.866 3 2.134 3.866 3 2.191 3.5 3.681 4.2688 1.5234 1.9219 4.0781 4.4766 1.9219 1.5234 4.4766 4.0781 1.597 4.403 1.597 4.403 1.6013 4.7044 3.7672 4.6333 4.7704 2.5352 5.5352 -3.0036 2.5352 2.5352 -4.8307 3.5352 -2.0526 -3.8126 4.0352 4.0352 5.0352 5.0352 1.5352 1.0352 1.0352 -0.4648 0.0352 0.0352 -1.4648 -2.0526 -3.0036 -4.7262 -5.5352 4.1429 3.4526 3.4526 4.1429 5.6178 4.9276 4.9276 5.6178 1.3452 1.3452 -0.2748 -0.2748 -1.861 -3.7478 -5.8996 -6.0368 -5.1708 8 8 8 8 8 8 8 8 8 8 8 3 3 8 8 14 14 15 16 17 17 20 21 22 20 22 15 16 18 19 18 19 21 0 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 538 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 7 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07330006000000000000000000000000001600000003C400000000000000001C000001E04104000000C08C5DE04B39192C8100AAC0325727470C2F0B9610A3909883C3824988820A2A09911842008689102A888271080800E10000000000000002000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[4-(4-thiomorpholinosulfonylphenyl)thiazol-2-yl]acetamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[4-(4-thiomorpholin-4-ylsulfonylphenyl)-2-thiazolyl]acetamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 <I>N</I>-[4-(4-thiomorpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]acetamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[4-(4-thiomorpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]acetamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[4-(4-thiomorpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]ethanamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[4-(4-thiomorpholinosulfonylphenyl)thiazol-2-yl]acetamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C15H17N3O3S3/c1-11(19)16-15-17-14(10-23-15)12-2-4-13(5-3-12)24(20,21)18-6-8-22-9-7-18/h2-5,10H,6-9H2,1H3,(H,16,17,19) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 HLZOPYLGLSPNKN-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 1.7 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 383.04320493 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C15H17N3O3S3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 383.5 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC(=O)NC1=NC(=CS1)C2=CC=C(C=C2)S(=O)(=O)N3CCSCC3 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC(=O)NC1=NC(=CS1)C2=CC=C(C=C2)S(=O)(=O)N3CCSCC3 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 141 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 383.04320493 24 0 0 0 0 0 0 0 1 -1