11993489 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 16 16 8 7 7 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 4 4 5 5 5 6 6 7 8 10 10 10 11 11 12 12 13 14 15 15 15 6 9 8 13 14 7 9 9 14 20 7 8 10 11 16 17 18 12 19 13 21 22 15 23 24 25 1 1 1 1 2 1 2 1 1 1 2 1 1 2 1 1 1 1 1 2 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 5.3781 3.309 7.6734 5.8781 7.1382 4.5691 4.8781 3.618 6.1871 4.2903 2.809 2 2.309 7.8813 8.8324 4.7919 3.9259 3.7887 2.809 7.2671 1.4103 1.9446 8.6408 9.422 9.024 -0.8378 -1.5101 1.0883 0.7011 -0.559 -0.25 0.7011 -0.559 -0.25 1.5101 0.0288 -0.559 -1.5101 0.1101 -0.1989 1.8745 2.0117 1.1456 0.6488 -1.1655 -0.3674 -2.0117 -0.7886 -0.3905 0.3908 8 8 8 8 8 8 8 8 8 8 1 1 2 2 4 4 6 8 11 12 6 9 8 13 7 9 7 11 12 13 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 250 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C073200060000000000000000000000000016240000000000000000000000001E000001E0410000000080885D600B39192C81008AC012572740003F0A961083949981C304088882022E0991184200028910268C8271080000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[4-methyl-5-(2-thienyl)thiazol-2-yl]acetamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(4-methyl-5-thiophen-2-yl-2-thiazolyl)acetamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 <I>N</I>-(4-methyl-5-thiophen-2-yl-1,3-thiazol-2-yl)acetamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(4-methyl-5-thiophen-2-yl-1,3-thiazol-2-yl)acetamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(4-methyl-5-thiophen-2-yl-1,3-thiazol-2-yl)ethanamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[4-methyl-5-(2-thienyl)thiazol-2-yl]acetamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C10H10N2OS2/c1-6-9(8-4-3-5-14-8)15-10(11-6)12-7(2)13/h3-5H,1-2H3,(H,11,12,13) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 ZJDRJACAGBUAPY-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 2.2 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 238.02345529 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C10H10N2OS2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 238.3 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=C(SC(=N1)NC(=O)C)C2=CC=CS2 SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=C(SC(=N1)NC(=O)C)C2=CC=CS2 Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 98.5 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 238.02345529 15 0 0 0 0 0 0 0 1 -1