65270346 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 4 5 5 5 6 6 6 7 7 7 8 8 8 8 10 10 11 11 13 13 13 14 14 14 15 15 16 16 17 17 18 18 19 4 9 6 7 9 9 12 12 11 35 36 10 20 21 11 22 23 12 13 14 24 15 16 25 26 27 28 29 30 31 32 17 33 18 34 19 37 19 38 39 1 1 1 1 1 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 2 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 2.923 3.732 4.5411 3.232 6.3301 2.866 4.5981 4.8198 3.732 2.866 5.4641 4.232 4.4131 5.8144 2 3.732 2 3.732 2.866 2.654 2.2554 4.1996 4.9966 5.1843 5.8626 5.0656 4.9795 4.1609 3.8467 5.7496 6.431 5.8792 1.4631 4.269 6.8671 6.3301 1.4631 4.269 2.866 1.2071 -0.3807 1.2071 2.1581 -0.8807 -0.8807 -0.8807 2.9672 0.6193 -1.8807 -0.3807 2.1581 3.8807 2.8626 -2.3807 -2.3807 -3.3807 -3.3807 -3.8807 -0.2981 -0.9884 -1.3556 -1.3556 3.4688 0.0942 0.0942 4.1329 4.4471 3.6285 2.246 2.7978 3.4792 -2.0707 -2.0707 -0.5707 -1.5007 -3.6907 -3.6907 -4.5007 8 8 8 8 8 8 8 8 8 8 8 1 1 3 3 4 10 10 15 16 17 18 4 9 9 12 12 15 16 17 18 19 19 0 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 256 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 00000371E073800040000000000000000000000000016000000030000000000000000001C000001C04104000000D00C11B04331087481000A4022262240082D0092000A80988803804888868228099119420086890028888071080000E00000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N'-benzyl-N'-(3-isopropyl-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'-(phenylmethyl)-N'-(3-propan-2-yl-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>&apos;-benzyl-<I>N</I>&apos;-(3-propan-2-yl-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'-benzyl-N'-(3-propan-2-yl-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'-(phenylmethyl)-N'-(3-propan-2-yl-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 2-aminoethyl-benzyl-(3-isopropyl-1,2,4-thiadiazol-5-yl)amine InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C14H20N4S/c1-11(2)13-16-14(19-17-13)18(9-8-15)10-12-6-4-3-5-7-12/h3-7,11H,8-10,15H2,1-2H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 IYLRUDQJERCSDE-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 2.9 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 CC(C)C1=NSC(=N1)N(CCN)CC2=CC=CC=C2 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC(C)C1=NSC(=N1)N(CCN)CC2=CC=CC=C2 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 83.3 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