54737199 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 16 16 8 8 8 7 7 6 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 2 2 3 3 4 4 5 6 6 6 7 7 8 8 8 8 9 9 10 10 11 11 13 13 14 14 16 17 17 18 18 20 20 22 22 22 10 15 11 15 19 22 16 33 21 12 21 29 12 15 9 10 23 24 13 14 25 26 12 16 17 27 18 28 20 19 30 19 31 21 32 34 35 36 1 1 1 1 1 1 1 1 2 1 1 1 1 2 1 1 1 1 2 1 1 1 2 1 1 1 2 1 2 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 7.1279 5.5443 10.6279 3.732 2 3.732 5.5443 8.6279 9.1279 7.6279 4.5981 4.5981 10.1279 8.6279 6.1279 3.732 10.6279 9.1279 10.1279 2.866 2.866 11.6279 9.2105 8.5202 7.0453 7.7356 10.4379 8.0079 3.732 11.2479 8.8179 2.3291 3.1951 11.6279 12.2479 11.6279 1.0101 1.8148 -3.3201 3.0101 0.0101 0.0101 0.2053 0.144 -0.722 0.144 1.5101 0.5101 -0.722 -1.588 1.0101 2.0101 -1.588 -2.454 -2.454 1.5101 0.5101 -3.3201 0.3561 0.7546 -0.068 -0.4665 -0.1851 -1.588 -0.6099 -1.588 -2.991 1.8201 3.3201 -3.9401 -3.3201 -2.7001 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 2 2 6 6 7 7 9 9 11 11 13 14 16 17 18 20 11 15 12 21 12 15 13 14 12 16 17 18 20 19 19 21 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 439 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 6 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371C073300060000000000000000000000000016000000030400000000000004001C000001E04100800000C0485DA02B3B792C81608AC022372740082F9A96128380998042648C88C2622E4391A8470202ED513C8B90780C0800E20000000000000004000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 7-hydroxy-2-[2-(4-methoxyphenyl)ethylsulfanyl]-4H-thiazolo[4,5-b]pyridin-5-one IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 7-hydroxy-2-[2-(4-methoxyphenyl)ethylthio]-4H-thiazolo[4,5-b]pyridin-5-one IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 7-hydroxy-2-[2-(4-methoxyphenyl)ethylsulfanyl]-4<I>H</I>-[1,3]thiazolo[4,5-b]pyridin-5-one IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 7-hydroxy-2-[2-(4-methoxyphenyl)ethylsulfanyl]-4H-[1,3]thiazolo[4,5-b]pyridin-5-one IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-[2-(4-methoxyphenyl)ethylsulfanyl]-7-oxidanyl-4H-[1,3]thiazolo[4,5-b]pyridin-5-one IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 7-hydroxy-2-[2-(4-methoxyphenyl)ethylthio]-4H-thiazolo[4,5-b]pyridin-5-one InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C15H14N2O3S2/c1-20-10-4-2-9(3-5-10)6-7-21-15-17-14-13(22-15)11(18)8-12(19)16-14/h2-5,8H,6-7H2,1H3,(H2,16,18,19) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 JYHAQPDGDPSOAR-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 2021.05.07 334.04458466 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C15H14N2O3S2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 334.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 COC1=CC=C(C=C1)CCSC2=NC3=C(S2)C(=CC(=O)N3)O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 COC1=CC=C(C=C1)CCSC2=NC3=C(S2)C(=CC(=O)N3)O Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 125 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 334.04458466 22 0 0 0 0 0 0 0 1 -1