115224 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 17 16 7 7 7 7 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 2 2 3 3 3 4 4 5 5 6 7 7 7 8 8 8 9 9 11 11 12 12 13 14 14 15 9 10 7 8 10 10 16 13 15 16 9 17 18 11 19 20 21 22 12 13 14 23 24 15 25 1 1 1 1 1 1 2 1 1 2 3 1 1 1 1 1 1 1 1 1 2 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 2 7.4128 6.3301 5.6915 3.732 6.1073 7.2437 5.4641 7.9128 6.4347 4.5981 3.732 4.5981 2.866 2.866 5.8994 7.7453 6.9337 5.8626 5.0656 8.4144 8.3277 3.732 5.135 2.3291 0.06 0.3575 1.56 -0.1037 0.06 -2.06 1.9667 2.06 1.2236 0.5655 1.56 2.06 0.56 1.56 0.56 -1.0818 2.3311 2.5036 2.5349 2.5349 0.8591 1.6843 2.68 0.25 1.87 8 8 8 8 8 8 5 5 11 11 12 14 13 15 12 13 14 15 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 324 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C07380004400000000000000000000000001600000002C0000000000000000018000001C06000000000C02C55A24BD8093081008B0023067640082902171073009D8203866980820E2C1DB91842008608000C8C8061000000C00000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 [3-[(6-chloro-3-pyridyl)methyl]thiazolidin-2-ylidene]cyanamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 [3-[(6-chloro-3-pyridinyl)methyl]-2-thiazolidinylidene]cyanamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 [3-[(6-chloropyridin-3-yl)methyl]-1,3-thiazolidin-2-ylidene]cyanamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 [3-[(6-chloropyridin-3-yl)methyl]-1,3-thiazolidin-2-ylidene]cyanamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 [3-[(6-chloranylpyridin-3-yl)methyl]-1,3-thiazolidin-2-ylidene]cyanamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 [3-[(6-chloro-3-pyridyl)methyl]thiazolidin-2-ylidene]cyanamide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C10H9ClN4S/c11-9-2-1-8(5-13-9)6-15-3-4-16-10(15)14-7-12/h1-2,5H,3-4,6H2 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 HOKKPVIRMVDYPB-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 2.2 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 252.0236452 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C10H9ClN4S Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 252.72 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1CSC(=NC#N)N1CC2=CN=C(C=C2)Cl SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1CSC(=NC#N)N1CC2=CN=C(C=C2)Cl Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 77.6 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 252.0236452 16 0 0 0 0 0 0 0 1 -1