7192959 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 16 8 7 7 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 3 3 3 4 4 5 5 5 5 6 6 6 7 7 10 10 11 12 12 13 13 14 14 15 16 16 16 17 17 17 9 10 8 8 9 23 9 11 6 7 8 18 7 19 20 21 22 11 12 13 14 16 15 17 15 24 25 26 27 28 29 30 31 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 2 1 1 1 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 4.6783 6.2619 6.2619 4.6783 7.7619 8.6279 8.6279 6.7619 5.2619 3.732 3.732 2.866 2.866 2 2 2.866 2.866 7.6014 8.4158 9.2385 9.2385 8.4158 6.5719 1.4631 1.4631 3.486 2.866 2.246 2.246 2.866 3.486 0.8047 -1.732 -0 -0.8047 -0.866 -1.366 -0.366 -0.866 -0 0.5 -0.5 1 -1 0.5 -0.5 2 -2 -0.2672 -1.9486 -1.4737 -0.2584 0.2166 0.5369 0.81 -0.81 2 2.62 2 -2 -2.62 -2 8 8 8 8 8 8 8 8 8 8 1 1 4 4 10 10 11 12 13 14 9 10 9 11 11 12 13 14 15 15 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 319 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 3 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 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371C073200040000000000000000000180000016000000030000000000000005801F000001E04100000000D0881DE0033D1B2C81008AC032572740083F0A96108390998352044988820B2E0999184200868910248C8271080000E400000C00006010080000180000C0200000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(4,7-dimethyl-1,3-benzothiazol-2-yl)cyclopropanecarboxamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(4,7-dimethyl-1,3-benzothiazol-2-yl)cyclopropanecarboxamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 <I>N</I>-(4,7-dimethyl-1,3-benzothiazol-2-yl)cyclopropanecarboxamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(4,7-dimethyl-1,3-benzothiazol-2-yl)cyclopropanecarboxamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(4,7-dimethyl-1,3-benzothiazol-2-yl)cyclopropanecarboxamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(4,7-dimethyl-1,3-benzothiazol-2-yl)cyclopropanecarboxamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C13H14N2OS/c1-7-3-4-8(2)11-10(7)14-13(17-11)15-12(16)9-5-6-9/h3-4,9H,5-6H2,1-2H3,(H,14,15,16) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 NNFDXQXYZRDCQX-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 3.1 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 246.08268425 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C13H14N2OS Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 246.33 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=C2C(=C(C=C1)C)SC(=N2)NC(=O)C3CC3 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=C2C(=C(C=C1)C)SC(=N2)NC(=O)C3CC3 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 70.2 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 246.08268425 17 0 0 0 0 0 0 0 1 -1