3670092 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 17 16 16 8 7 7 6 6 6 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 5 5 5 6 6 7 7 7 8 8 9 9 11 12 12 13 14 14 14 15 15 16 16 17 17 18 18 19 20 20 21 21 22 22 23 23 24 8 10 9 14 11 7 10 11 10 13 8 9 25 26 27 28 29 12 13 15 16 17 30 31 18 32 19 33 20 21 19 34 35 22 36 23 37 24 38 24 39 1 1 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 2 1 2 1 1 1 1 2 1 2 1 1 1 7 5 8 9 25 3 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 11.9921 6.4783 7.7674 4.666 5.5321 4.666 6.4783 7.0619 6.7889 5.5321 4.666 3.8 3.8 8.0781 2.9061 2.9061 9.0566 2 2 9.7245 9.3673 10.703 10.3458 11.0136 6.0408 7.5228 7.5228 6.7684 6.1751 8.0575 7.4643 2.9132 2.9132 1.4643 1.4643 9.5318 8.9532 11.117 10.5384 2.1167 -2.4249 0.3413 0.3799 -1.1201 -2.6201 -0.8154 -1.6201 0.1351 -2.1201 -0.6201 -1.1201 -2.1201 1.2918 -0.5855 -2.6548 1.4981 -1.0993 -2.141 0.7538 2.4486 0.96 2.6548 1.9105 -0.3761 -2.0349 -1.2054 0.7548 0.2225 1.9115 1.3792 0.0345 -3.2748 -0.7873 -2.453 0.1644 2.91 0.4985 3.2441 8 8 8 8 3 8 8 8 8 8 8 8 8 8 8 8 8 8 5 5 6 6 7 11 12 12 13 15 16 17 17 18 20 21 22 23 10 11 10 13 9 12 13 15 16 18 19 20 21 19 22 23 24 24 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 507 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371C07B2000640000000000000000000000000160000000306080000000000040814000001E06000000000C2AC5D824B1C083000008A802255274008210016407100988010866C808203AA1DF91842188608600A8C9C71888008E04000000000200000800000000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-[(4-chlorophenyl)methylsulfanylmethyl]-2,3-dihydrothiazolo[2,3-b]quinazolin-5-one IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-[[(4-chlorophenyl)methylthio]methyl]-2,3-dihydrothiazolo[2,3-b]quinazolin-5-one IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-[(4-chlorophenyl)methylsulfanylmethyl]-2,3-dihydro-[1,3]thiazolo[2,3-b]quinazolin-5-one IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-[(4-chlorophenyl)methylsulfanylmethyl]-2,3-dihydro-[1,3]thiazolo[2,3-b]quinazolin-5-one IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-[(4-chlorophenyl)methylsulfanylmethyl]-2,3-dihydro-[1,3]thiazolo[2,3-b]quinazolin-5-one IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-[[(4-chlorobenzyl)thio]methyl]-2,3-dihydrothiazolo[2,3-b]quinazolin-5-one InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C18H15ClN2OS2/c19-13-7-5-12(6-8-13)9-23-10-14-11-24-18-20-16-4-2-1-3-15(16)17(22)21(14)18/h1-8,14H,9-11H2 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 XXZNPEFTVPSLQG-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 4.4 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 374.0314331 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C18H15ClN2OS2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 374.9 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1C(N2C(=O)C3=CC=CC=C3N=C2S1)CSCC4=CC=C(C=C4)Cl SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1C(N2C(=O)C3=CC=CC=C3N=C2S1)CSCC4=CC=C(C=C4)Cl 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 2021.05.07 374.0314331 24 1 0 1 0 0 0 0 1 -1