51191783 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 16 8 7 7 7 7 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 2 3 3 3 4 4 5 5 6 7 7 8 8 9 9 10 10 11 11 13 14 14 15 15 15 15 18 18 19 20 20 20 16 17 12 12 17 27 7 19 6 16 17 8 9 10 12 11 14 13 21 13 22 23 18 24 16 20 25 26 19 28 29 30 31 32 1 1 2 1 1 1 1 2 1 2 2 1 2 2 1 1 1 1 1 2 1 1 2 1 1 1 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 32 3.618 4.5411 2.809 5.435 2.309 2 4.5411 3.675 4.5411 2.809 3.675 3.675 2.809 5.435 3.8968 3.309 2.809 6.3411 6.3411 3.4901 2.2721 3.675 2.2721 5.4278 4.4108 4.3275 2.2721 6.8768 6.8768 2.9237 3.2379 4.0565 -1.2244 0.3634 0.3634 1.8287 -2.1755 -1.2244 2.3634 1.8634 3.3634 2.3634 3.8634 0.8634 3.3634 3.898 -2.9845 -2.1755 -0.6366 3.3842 2.3426 -3.898 2.0534 4.4834 3.6734 4.518 -3.3312 -2.5385 0.6734 3.6962 2.0305 -3.6459 -4.4644 -4.1502 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 1 1 4 4 5 5 6 7 7 8 9 9 10 11 14 18 16 17 7 19 6 16 17 8 9 10 11 14 13 13 18 19 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 354 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 5 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 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371C073A0004000000000000000000000000001600000003C4000000000000000B1FC00001E04180000000C08C1DE043FD0F2C81008AE03357774009280A27502391DD8213864D88820FAE0DD91842188708902C8C9C71888C08E00000200000200000000040000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(5-ethyl-1,3,4-thiadiazol-2-yl)quinoline-8-carboxamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(5-ethyl-1,3,4-thiadiazol-2-yl)-8-quinolinecarboxamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 <I>N</I>-(5-ethyl-1,3,4-thiadiazol-2-yl)quinoline-8-carboxamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(5-ethyl-1,3,4-thiadiazol-2-yl)quinoline-8-carboxamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(5-ethyl-1,3,4-thiadiazol-2-yl)quinoline-8-carboxamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(5-ethyl-1,3,4-thiadiazol-2-yl)quinoline-8-carboxamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C14H12N4OS/c1-2-11-17-18-14(20-11)16-13(19)10-7-3-5-9-6-4-8-15-12(9)10/h3-8H,2H2,1H3,(H,16,18,19) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 SZRPFZCMIURZMZ-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 2.6 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 284.07318219 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C14H12N4OS Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 284.34 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CCC1=NN=C(S1)NC(=O)C2=CC=CC3=C2N=CC=C3 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CCC1=NN=C(S1)NC(=O)C2=CC=CC3=C2N=CC=C3 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 96 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 284.07318219 20 0 0 0 0 0 0 0 1 -1