sodium;tert-butyl 5-acetyloxy-3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-5-(2-chloroethoxy)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-(2-morpholin-4-ylethoxy)thieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-5-hydroxy-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 2-chloroacetate;2,4-dioxopentan-3-yl acetate;ethanolate;2-isocyanoethanethioamide;pentane-2,4-dione;triacetyloxyplumbyl acetate

C97H138Cl2N11NaO31PbS5 — CID 158287936

IUPACsodium;tert-butyl 5-acetyloxy-3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-5-(2-chloroethoxy)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-(2-morpholin-4-ylethoxy)thieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-5-hydroxy-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 2-chloroacetate;2,4-dioxopentan-3-yl acetate;ethanolate;2-isocyanoethanethioamide;pentane-2,4-dione;triacetyloxyplumbyl acetate
SMILESCC(=O)CC(C)=O.CC(=O)OC(C(C)=O)C(C)=O.CC(=O)O[Pb](OC(C)=O)(OC(C)=O)OC(C)=O.CC(=O)Oc1c(C)nc2sc(C(=O)OC(C)(C)C)c(N)c2c1C.CC(C)(C)OC(=O)CCl.CC[O-].Cc1nc2sc(C(=O)OC(C)(C)C)c(N)c2c(C)c1O.Cc1nc2sc(C(=O)OC(C)(C)C)c(N)c2c(C)c1OCCCl.Cc1nc2sc(C(=O)OC(C)(C)C)c(N)c2c(C)c1OCCN1CCOCC1.[C-]#[N+]CC(N)=S.[Na+]
InChIInChI=1S/C20H29N3O4S.C16H21ClN2O3S.C16H20N2O4S.C14H18N2O3S.C7H10O4.C6H11ClO2.C5H8O2.C3H4N2S.4C2H4O2.C2H5O.Na.Pb/c1-12-14-15(21)17(19(24)27-20(3,4)5)28-18(14)22-13(2)16(12)26-11-8-23-6-9-25-10-7-23;1-8-10-11(18)13(15(20)22-16(3,4)5)23-14(10)19-9(2)12(8)21-7-6-17;1-7-10-11(17)13(15(20)22-16(4,5)6)23-14(10)18-8(2)12(7)21-9(3)19;1-6-8-9(15)11(13(18)19-14(3,4)5)20-12(8)16-7(2)10(6)17;1-4(8)7(5(2)9)11-6(3)10;1-6(2,3)9-5(8)4-7;1-4(6)3-5(2)7;1-5-2-3(4)6;4*1-2(3)4;1-2-3;;/h6-11,21H2,1-5H3;6-7,18H2,1-5H3;17H2,1-6H3;17H,15H2,1-5H3;7H,1-3H3;4H2,1-3H3;3H2,1-2H3;2H2,(H2,4,6);4*1H3,(H,3,4);2H2,1H3;;/q;;;;;;;;;;;;-1;+1;+4/p-4
InChIKeyGKZWZGRNRRVOQG-UHFFFAOYSA-J
MW2415.65 g/mol
LogP12.22
Rot. Bonds23

About sodium;tert-butyl 5-acetyloxy-3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-5-(2-chloroethoxy)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-(2-morpholin-4-ylethoxy)thieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-5-hydroxy-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 2-chloroacetate;2,4-dioxopentan-3-yl acetate;ethanolate;2-isocyanoethanethioamide;pentane-2,4-dione;triacetyloxyplumbyl acetate

sodium;tert-butyl 5-acetyloxy-3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-5-(2-chloroethoxy)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-(2-morpholin-4-ylethoxy)thieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-5-hydroxy-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 2-chloroacetate;2,4-dioxopentan-3-yl acetate;ethanolate;2-isocyanoethanethioamide;pentane-2,4-dione;triacetyloxyplumbyl acetate (PubChem CID 158287936) has the molecular formula C97H138Cl2N11NaO31PbS5 and a molecular weight of 2415.65 g/mol. Its IUPAC name is sodium;tert-butyl 5-acetyloxy-3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-5-(2-chloroethoxy)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-(2-morpholin-4-ylethoxy)thieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-5-hydroxy-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 2-chloroacetate;2,4-dioxopentan-3-yl acetate;ethanolate;2-isocyanoethanethioamide;pentane-2,4-dione;triacetyloxyplumbyl acetate.

Molecular Properties

Compound Namesodium;tert-butyl 5-acetyloxy-3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-5-(2-chloroethoxy)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-(2-morpholin-4-ylethoxy)thieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-5-hydroxy-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 2-chloroacetate;2,4-dioxopentan-3-yl acetate;ethanolate;2-isocyanoethanethioamide;pentane-2,4-dione;triacetyloxyplumbyl acetate
PubChem CID158287936
Molecular FormulaC97H138Cl2N11NaO31PbS5
Molecular Weight2415.65 g/mol
Exact Mass2413.72
IUPAC Namesodium;tert-butyl 5-acetyloxy-3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-5-(2-chloroethoxy)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-(2-morpholin-4-ylethoxy)thieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-5-hydroxy-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 2-chloroacetate;2,4-dioxopentan-3-yl acetate;ethanolate;2-isocyanoethanethioamide;pentane-2,4-dione;triacetyloxyplumbyl acetate
SMILESCC(=O)CC(C)=O.CC(=O)OC(C(C)=O)C(C)=O.CC(=O)O[Pb](OC(C)=O)(OC(C)=O)OC(C)=O.CC(=O)Oc1c(C)nc2sc(C(=O)OC(C)(C)C)c(N)c2c1C.CC(C)(C)OC(=O)CCl.CC[O-].Cc1nc2sc(C(=O)OC(C)(C)C)c(N)c2c(C)c1O.Cc1nc2sc(C(=O)OC(C)(C)C)c(N)c2c(C)c1OCCCl.Cc1nc2sc(C(=O)OC(C)(C)C)c(N)c2c(C)c1OCCN1CCOCC1.[C-]#[N+]CC(N)=S.[Na+]
InChIInChI=1S/C20H29N3O4S.C16H21ClN2O3S.C16H20N2O4S.C14H18N2O3S.C7H10O4.C6H11ClO2.C5H8O2.C3H4N2S.4C2H4O2.C2H5O.Na.Pb/c1-12-14-15(21)17(19(24)27-20(3,4)5)28-18(14)22-13(2)16(12)26-11-8-23-6-9-25-10-7-23;1-8-10-11(18)13(15(20)22-16(3,4)5)23-14(10)19-9(2)12(8)21-7-6-17;1-7-10-11(17)13(15(20)22-16(4,5)6)23-14(10)18-8(2)12(7)21-9(3)19;1-6-8-9(15)11(13(18)19-14(3,4)5)20-12(8)16-7(2)10(6)17;1-4(8)7(5(2)9)11-6(3)10;1-6(2,3)9-5(8)4-7;1-4(6)3-5(2)7;1-5-2-3(4)6;4*1-2(3)4;1-2-3;;/h6-11,21H2,1-5H3;6-7,18H2,1-5H3;17H2,1-6H3;17H,15H2,1-5H3;7H,1-3H3;4H2,1-3H3;3H2,1-2H3;2H2,(H2,4,6);4*1H3,(H,3,4);2H2,1H3;;/q;;;;;;;;;;;;-1;+1;+4/p-4
InChIKeyGKZWZGRNRRVOQG-UHFFFAOYSA-J
XLogP12.22
TPSA617.82 Ų
H-Bond Donors6
H-Bond Acceptors45
Rotatable Bonds23
Heavy Atoms148
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002415.65
LogP ≤ 512.22
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1045

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze sodium;tert-butyl 5-acetyloxy-3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-5-(2-chloroethoxy)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-(2-morpholin-4-ylethoxy)thieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-5-hydroxy-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 2-chloroacetate;2,4-dioxopentan-3-yl acetate;ethanolate;2-isocyanoethanethioamide;pentane-2,4-dione;triacetyloxyplumbyl acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of sodium;tert-butyl 5-acetyloxy-3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-5-(2-chloroethoxy)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-(2-morpholin-4-ylethoxy)thieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-5-hydroxy-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 2-chloroacetate;2,4-dioxopentan-3-yl acetate;ethanolate;2-isocyanoethanethioamide;pentane-2,4-dione;triacetyloxyplumbyl acetate?
The IUPAC name of sodium;tert-butyl 5-acetyloxy-3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-5-(2-chloroethoxy)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-(2-morpholin-4-ylethoxy)thieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-5-hydroxy-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 2-chloroacetate;2,4-dioxopentan-3-yl acetate;ethanolate;2-isocyanoethanethioamide;pentane-2,4-dione;triacetyloxyplumbyl acetate (CID 158287936) is sodium;tert-butyl 5-acetyloxy-3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-5-(2-chloroethoxy)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-(2-morpholin-4-ylethoxy)thieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-5-hydroxy-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 2-chloroacetate;2,4-dioxopentan-3-yl acetate;ethanolate;2-isocyanoethanethioamide;pentane-2,4-dione;triacetyloxyplumbyl acetate.
What is the SMILES notation for sodium;tert-butyl 5-acetyloxy-3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-5-(2-chloroethoxy)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-(2-morpholin-4-ylethoxy)thieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-5-hydroxy-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 2-chloroacetate;2,4-dioxopentan-3-yl acetate;ethanolate;2-isocyanoethanethioamide;pentane-2,4-dione;triacetyloxyplumbyl acetate?
The canonical SMILES for sodium;tert-butyl 5-acetyloxy-3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-5-(2-chloroethoxy)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-(2-morpholin-4-ylethoxy)thieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-5-hydroxy-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 2-chloroacetate;2,4-dioxopentan-3-yl acetate;ethanolate;2-isocyanoethanethioamide;pentane-2,4-dione;triacetyloxyplumbyl acetate is CC(=O)CC(C)=O.CC(=O)OC(C(C)=O)C(C)=O.CC(=O)O[Pb](OC(C)=O)(OC(C)=O)OC(C)=O.CC(=O)Oc1c(C)nc2sc(C(=O)OC(C)(C)C)c(N)c2c1C.CC(C)(C)OC(=O)CCl.CC[O-].Cc1nc2sc(C(=O)OC(C)(C)C)c(N)c2c(C)c1O.Cc1nc2sc(C(=O)OC(C)(C)C)c(N)c2c(C)c1OCCCl.Cc1nc2sc(C(=O)OC(C)(C)C)c(N)c2c(C)c1OCCN1CCOCC1.[C-]#[N+]CC(N)=S.[Na+].
What is the InChIKey of sodium;tert-butyl 5-acetyloxy-3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-5-(2-chloroethoxy)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-(2-morpholin-4-ylethoxy)thieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-5-hydroxy-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 2-chloroacetate;2,4-dioxopentan-3-yl acetate;ethanolate;2-isocyanoethanethioamide;pentane-2,4-dione;triacetyloxyplumbyl acetate?
The InChIKey is GKZWZGRNRRVOQG-UHFFFAOYSA-J. The full InChI is InChI=1S/C20H29N3O4S.C16H21ClN2O3S.C16H20N2O4S.C14H18N2O3S.C7H10O4.C6H11ClO2.C5H8O2.C3H4N2S.4C2H4O2.C2H5O.Na.Pb/c1-12-14-15(21)17(19(24)27-20(3,4)5)28-18(14)22-13(2)16(12)26-11-8-23-6-9-25-10-7-23;1-8-10-11(18)13(15(20)22-16(3,4)5)23-14(10)19-9(2)12(8)21-7-6-17;1-7-10-11(17)13(15(20)22-16(4,5)6)23-14(10)18-8(2)12(7)21-9(3)19;1-6-8-9(15)11(13(18)19-14(3,4)5)20-12(8)16-7(2)10(6)17;1-4(8)7(5(2)9)11-6(3)10;1-6(2,3)9-5(8)4-7;1-4(6)3-5(2)7;1-5-2-3(4)6;4*1-2(3)4;1-2-3;;/h6-11,21H2,1-5H3;6-7,18H2,1-5H3;17H2,1-6H3;17H,15H2,1-5H3;7H,1-3H3;4H2,1-3H3;3H2,1-2H3;2H2,(H2,4,6);4*1H3,(H,3,4);2H2,1H3;;/q;;;;;;;;;;;;-1;+1;+4/p-4.
What are the key properties of sodium;tert-butyl 5-acetyloxy-3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-5-(2-chloroethoxy)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-(2-morpholin-4-ylethoxy)thieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-5-hydroxy-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 2-chloroacetate;2,4-dioxopentan-3-yl acetate;ethanolate;2-isocyanoethanethioamide;pentane-2,4-dione;triacetyloxyplumbyl acetate?
sodium;tert-butyl 5-acetyloxy-3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-5-(2-chloroethoxy)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-(2-morpholin-4-ylethoxy)thieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-5-hydroxy-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 2-chloroacetate;2,4-dioxopentan-3-yl acetate;ethanolate;2-isocyanoethanethioamide;pentane-2,4-dione;triacetyloxyplumbyl acetate has a molecular weight of 2415.65 g/mol, XLogP of 12.22, 23 rotatable bonds, 6 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;tert-butyl 5-acetyloxy-3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-5-(2-chloroethoxy)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-(2-morpholin-4-ylethoxy)thieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-5-hydroxy-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 2-chloroacetate;2,4-dioxopentan-3-yl acetate;ethanolate;2-isocyanoethanethioamide;pentane-2,4-dione;triacetyloxyplumbyl acetate is sourced from PubChem (CID 158287936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).