972880 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 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 2 2 3 3 4 4 5 5 6 7 7 8 8 10 11 11 12 12 12 13 14 14 15 15 16 17 17 18 18 19 9 13 6 9 20 8 9 6 16 10 19 7 11 12 10 13 15 14 21 22 23 24 25 16 26 17 27 28 18 29 19 30 31 1 1 1 1 1 1 2 1 2 1 2 2 1 1 1 2 2 2 1 1 1 1 1 1 1 1 1 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 4.7026 3.732 5.5116 4.5981 7.7631 3.732 2.866 6.1808 4.5981 7.1753 2.866 2 5.6808 3.732 7.582 4.5981 8.5765 9.1643 8.7576 3.1951 2.3291 1.69 1.4631 2.31 5.9329 3.732 7.2176 5.135 8.8287 9.7809 9.122 -2.1433 -0.6488 -0.742 0.8512 -2.1897 0.3512 0.8512 -1.4852 -1.1488 -1.3807 1.8512 0.3512 -2.3512 2.3512 -0.4671 1.8512 -0.3626 -1.1716 -2.0852 -0.9588 2.1612 0.8882 0.0412 -0.1857 -2.9176 2.9712 0.0345 2.1612 0.2038 -1.1068 -2.5867 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 1 1 3 3 4 4 5 5 6 7 8 10 11 14 15 17 18 9 13 8 9 6 16 10 19 7 11 13 15 14 16 17 18 19 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 289 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 5 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 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 00000371C07380004000000000000000000000000001600000002C580000000000000001F800001C04100000000C08C55E04BFB192C81008A4033667640082F0A9710A3909D8343864988860E2E09991942008688002C8C8271080000C00000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-(3-methyl-2-pyridyl)-4-(2-pyridyl)thiazol-2-amine IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-(3-methyl-2-pyridinyl)-4-(2-pyridinyl)-2-thiazolamine IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 <I>N</I>-(3-methylpyridin-2-yl)-4-pyridin-2-yl-1,3-thiazol-2-amine IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-(3-methylpyridin-2-yl)-4-pyridin-2-yl-1,3-thiazol-2-amine IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-(3-methylpyridin-2-yl)-4-pyridin-2-yl-1,3-thiazol-2-amine IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (3-methyl-2-pyridyl)-[4-(2-pyridyl)thiazol-2-yl]amine InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C14H12N4S/c1-10-5-4-8-16-13(10)18-14-17-12(9-19-14)11-6-2-3-7-15-11/h2-9H,1H3,(H,16,17,18) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 AUWIYYMLXLLRIY-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 3.1 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 268.07826757 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C14H12N4S Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 268.34 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1=C(N=CC=C1)NC2=NC(=CS2)C3=CC=CC=N3 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1=C(N=CC=C1)NC2=NC(=CS2)C3=CC=CC=N3 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 78.9 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 268.07826757 19 0 0 0 0 0 0 0 1 -1