66879438 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 16 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 1 1 1 1 1 1 1 1 2 2 2 3 3 3 4 4 5 6 6 6 7 7 8 8 8 8 10 10 12 12 12 13 13 14 14 15 15 16 16 17 18 18 18 19 19 19 5 9 6 9 12 7 18 30 9 11 11 7 20 21 22 23 10 11 24 25 13 15 26 27 28 14 29 16 19 17 31 17 32 33 34 35 36 37 38 39 1 1 1 1 1 1 1 1 2 1 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 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 32 33 34 35 36 37 38 39 6.1808 6.0875 8.4833 4.7026 5.5116 7.082 7.4888 3.732 5.6808 3.732 4.5981 5.4997 2.866 2.866 4.5981 3.732 4.5981 8.89 2 7.0388 7.6836 7.532 6.8872 3.52 3.1215 6.0013 5.1353 4.9981 2.3291 8.8477 5.135 3.732 5.135 9.4564 9.1422 8.3236 1.69 1.4631 2.31 0.0103 1.7899 2.9125 0.6685 -0.7328 1.8944 2.808 -0.8261 0.8764 -1.8261 -0.3261 2.5989 -2.3261 -3.3261 -2.3261 -3.8261 -3.3261 3.8261 -3.8261 1.276 1.7444 3.4265 2.958 -0.2435 -0.9337 2.9634 3.1005 2.2345 -2.0161 2.4109 -2.0161 -4.4461 -3.6361 3.5739 4.3925 4.0782 -3.2891 -4.1361 -4.363 8 8 8 8 8 8 8 8 8 8 8 1 1 4 4 5 10 10 13 14 15 16 5 9 9 11 11 13 15 14 16 17 17 0 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 264 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 6 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E073800040000000000000000000000000016000000030000000000000000001C000001C04104000000C00C11B04331087C81000A4022262240002D0092000A80988803800888868228099119420002890020888071080C00E00000200000000000000040000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N,N'-dimethyl-N'-[3-(m-tolylmethyl)-1,2,4-thiadiazol-5-yl]ethane-1,2-diamine IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N,N'-dimethyl-N'-[3-[(3-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]ethane-1,2-diamine IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 <I>N</I>,<I>N</I>&apos;-dimethyl-<I>N</I>&apos;-[3-[(3-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]ethane-1,2-diamine IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N,N'-dimethyl-N'-[3-[(3-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]ethane-1,2-diamine IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N,N'-dimethyl-N'-[3-[(3-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]ethane-1,2-diamine IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 methyl-[2-(methylamino)ethyl]-[3-(3-methylbenzyl)-1,2,4-thiadiazol-5-yl]amine InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C14H20N4S/c1-11-5-4-6-12(9-11)10-13-16-14(19-17-13)18(3)8-7-15-2/h4-6,9,15H,7-8,10H2,1-3H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 DWIXDXAAHMMREH-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 2021.05.07 276.14086783 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C14H20N4S Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 276.40 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=CC(=CC=C1)CC2=NSC(=N2)N(C)CCNC SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=CC(=CC=C1)CC2=NSC(=N2)N(C)CCNC Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 69.3 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 276.14086783 19 0 0 0 0 0 0 0 1 -1