17191165 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 16 16 8 7 7 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 3 4 4 4 5 5 6 6 6 6 7 7 8 10 12 12 12 13 13 13 14 14 15 15 16 7 9 10 16 11 9 11 19 8 9 10 11 17 18 8 12 13 14 20 21 22 23 24 25 15 26 16 27 28 1 1 1 1 2 1 1 1 1 2 1 1 1 1 2 1 1 2 1 1 1 1 1 1 1 1 2 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 3.7601 6.2179 4.9849 5.5202 4.2601 6.6791 2.9511 3.2601 4.5691 6.887 5.7281 2 2.6723 7.8006 7.696 6.7179 7.2987 6.7654 5.9809 1.8084 1.4103 2.1916 3.1739 2.3079 2.1707 8.3375 8.1568 6.4657 0.6239 -2.1058 -0.7446 0.9027 2.1628 -0.3845 1.2117 2.1628 1.2117 -1.3626 -0.0755 0.9027 2.9718 -1.7694 -2.7639 -2.9718 -0.3628 0.2295 1.3176 1.4924 0.7111 0.313 3.3362 3.4734 2.6074 -1.4594 -3.1787 -3.5382 8 8 8 8 8 8 8 8 8 8 1 1 2 2 5 5 7 10 14 15 7 9 10 16 8 9 8 14 15 16 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 262 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 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C073200060000000000000000000000000016240000000000000000000000001E000001E0410000000080885D600B39192C81008AC012572740003F0A961083949981D304088882032E09D118400002891026888271808000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(4,5-dimethylthiazol-2-yl)-2-(2-thienyl)acetamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(4,5-dimethyl-2-thiazolyl)-2-thiophen-2-ylacetamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 <I>N</I>-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-2-ylacetamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-2-ylacetamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-2-yl-ethanamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(4,5-dimethylthiazol-2-yl)-2-(2-thienyl)acetamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C11H12N2OS2/c1-7-8(2)16-11(12-7)13-10(14)6-9-4-3-5-15-9/h3-5H,6H2,1-2H3,(H,12,13,14) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 MIGFFFVERJKLAR-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 2.6 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 252.03910536 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C11H12N2OS2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 252.4 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=C(SC(=N1)NC(=O)CC2=CC=CS2)C SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=C(SC(=N1)NC(=O)CC2=CC=CS2)C 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 2021.05.07 252.03910536 16 0 0 0 0 0 0 0 1 -1