24817156 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 40 41 42 43 44 45 16 8 8 7 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 1 1 1 1 1 1 1 2 3 4 4 4 5 5 5 6 6 7 7 7 7 8 8 8 9 9 9 10 10 11 11 12 12 12 13 13 13 14 16 17 18 18 19 20 20 21 21 22 22 23 23 24 16 19 14 15 10 11 14 15 18 38 17 19 8 9 12 25 10 26 27 11 28 29 30 31 32 33 13 34 35 15 36 37 16 17 39 20 21 40 22 41 23 42 24 43 24 44 45 1 1 2 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 1 1 1 1 2 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 32 33 34 35 36 37 38 39 40 41 42 43 44 45 2.6691 5.3147 4.4487 4.4487 6.1808 2.5 4.4487 3.5827 5.3147 3.5827 5.3147 4.4487 5.3147 4.4487 5.3147 3.5827 3.4782 6.1808 2 7.0468 5.3147 7.0468 5.3147 6.1808 3.9118 3.3706 2.9721 5.9253 5.5268 2.9721 3.3706 5.5268 5.9253 4.2366 3.8381 5.5268 5.9253 6.7177 3.9389 1.3834 7.5837 4.7778 7.5837 4.7778 6.1808 -3.742 -4.1488 2.3512 -2.6488 2.3512 -5.3512 -0.6488 -1.1488 -1.1488 -2.1488 -2.1488 0.3512 0.8512 -3.6488 1.8512 -4.1488 -5.1433 3.3512 -4.4852 3.8512 3.8512 4.8512 4.8512 5.3512 -0.3388 -0.5662 -1.2564 -1.2564 -0.5662 -2.0411 -2.7314 -2.7314 -2.0411 0.9338 0.2436 0.2686 0.9589 2.0412 -5.5582 -4.4204 3.5412 3.5412 5.1612 5.1612 5.9712 8 8 8 8 8 8 8 8 8 8 8 1 1 6 6 16 18 18 20 21 22 23 16 19 17 19 17 20 21 22 23 24 24 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 432 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 1 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 00000371E07B30004000000000000000000000000001600000003C400000000000000001C000001E04100000000D08C1D204BCC193C81008AC003577540082F0A0750A3848D80D2864C808203AC0D191842088609600C8C8C71808000E00000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-phenyl-3-[1-(thiazole-5-carbonyl)-4-piperidyl]propanamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-[1-[oxo(5-thiazolyl)methyl]-4-piperidinyl]-N-phenylpropanamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 <I>N</I>-phenyl-3-[1-(1,3-thiazole-5-carbonyl)piperidin-4-yl]propanamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-phenyl-3-[1-(1,3-thiazole-5-carbonyl)piperidin-4-yl]propanamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-phenyl-3-[1-(1,3-thiazol-5-ylcarbonyl)piperidin-4-yl]propanamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-phenyl-3-[1-(thiazole-5-carbonyl)-4-piperidyl]propionamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C18H21N3O2S/c22-17(20-15-4-2-1-3-5-15)7-6-14-8-10-21(11-9-14)18(23)16-12-19-13-24-16/h1-5,12-14H,6-11H2,(H,20,22) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 HQTWMDVGWNEUJT-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 2.7 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 343.13544809 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C18H21N3O2S Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 343.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1CN(CCC1CCC(=O)NC2=CC=CC=C2)C(=O)C3=CN=CS3 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1CN(CCC1CCC(=O)NC2=CC=CC=C2)C(=O)C3=CN=CS3 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 90.5 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 343.13544809 24 0 0 0 0 0 0 0 1 -1