27163551 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 35 16 8 8 8 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 2 2 3 3 4 5 5 6 7 7 7 8 8 9 9 9 10 10 11 11 11 12 12 12 13 13 14 14 16 16 17 19 19 19 21 22 22 23 23 24 25 24 15 17 13 14 18 21 40 20 11 12 15 15 16 10 18 35 20 36 13 26 27 14 28 29 30 31 32 33 17 18 34 20 21 22 23 24 37 25 38 25 39 1 1 1 1 1 2 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 2 1 2 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 6.001 5.501 8.2644 6.8671 2.5369 3.403 7.0888 6.81 5.135 5.135 6.6821 8.0833 7.2699 8.6711 6.501 6.001 5.192 6.001 4.269 4.269 3.403 5.135 3.403 5.135 4.269 6.2514 6.1681 7.9124 8.6406 7.4408 6.7126 9.1018 9.1851 4.6024 4.5981 5.672 5.672 2.866 4.269 2 -5.0352 2.5036 4.9307 -0.5352 -3.0352 -1.5352 3.3126 1.5526 -0.5352 -1.5352 4.2262 3.2081 5.0352 4.0171 2.5036 0.9648 1.5526 -0.0352 -3.0352 -2.0352 -3.5352 -3.5352 -4.5352 -4.5352 -5.0352 4.6722 3.8795 2.6121 2.9363 5.6312 5.307 3.5712 4.3638 1.361 -0.2252 -1.8452 -3.2252 -4.8452 -5.6552 -3.3452 8 8 8 8 8 8 8 8 8 8 8 2 2 8 8 16 19 19 21 22 23 24 15 17 15 16 17 21 22 23 24 25 25 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 7 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 3 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 00000371C073B8004010000000000000000000000001600000003C400000000000000001C000001E0458080001AC0CE5DE06B197936A1608AC032572740082F0A9672A3E1BA8159E2CE88A6636A29D339371406EE013989BB798C8208E00100010000800000020002000100000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N'-(5-bromo-2-hydroxy-benzoyl)-2-morpholino-thiazole-4-carbohydrazide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N'-[(5-bromo-2-hydroxyphenyl)-oxomethyl]-2-(4-morpholinyl)-4-thiazolecarbohydrazide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 <I>N</I>&apos;-(5-bromo-2-hydroxybenzoyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N'-(5-bromo-2-hydroxybenzoyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N'-(5-bromanyl-2-oxidanyl-phenyl)carbonyl-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N'-(5-bromo-2-hydroxy-benzoyl)-2-morpholino-thiazole-4-carbohydrazide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C15H15BrN4O4S/c16-9-1-2-12(21)10(7-9)13(22)18-19-14(23)11-8-25-15(17-11)20-3-5-24-6-4-20/h1-2,7-8,21H,3-6H2,(H,18,22)(H,19,23) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 UUWQPCADJXCAAR-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 2.7 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 425.99974 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C15H15BrN4O4S Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 427.3 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1COCCN1C2=NC(=CS2)C(=O)NNC(=O)C3=C(C=CC(=C3)Br)O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1COCCN1C2=NC(=CS2)C(=O)NNC(=O)C3=C(C=CC(=C3)Br)O Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 132 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 425.99974 25 0 0 0 0 0 0 0 1 -1