tert-butyl 3-amino-5-[2-[4-[3-(dimethylamino)propyl]piperazin-1-yl]ethoxy]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-[2-(4-methyl-1,4-diazepan-1-yl)ethoxy]thieno[2,3-b]pyridine-2-carboxylate;S-tert-butyl 5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carbothioate;4,5,6-trimethyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)thieno[2,3-b]pyridin-3-amine;4,5,6-trimethyl-2-(5-phenyl-1,3-oxazol-2-yl)thieno[2,3-b]pyridin-3-amine;4,5,6-trimethyl-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)thieno[2,3-b]pyridin-3-amine

C117H144N22O10S7 — CID 160649901

About tert-butyl 3-amino-5-[2-[4-[3-(dimethylamino)propyl]piperazin-1-yl]ethoxy]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-[2-(4-methyl-1,4-diazepan-1-yl)ethoxy]thieno[2,3-b]pyridine-2-carboxylate;S-tert-butyl 5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carbothioate;4,5,6-trimethyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)thieno[2,3-b]pyridin-3-amine;4,5,6-trimethyl-2-(5-phenyl-1,3-oxazol-2-yl)thieno[2,3-b]pyridin-3-amine;4,5,6-trimethyl-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)thieno[2,3-b]pyridin-3-amine

tert-butyl 3-amino-5-[2-[4-[3-(dimethylamino)propyl]piperazin-1-yl]ethoxy]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-[2-(4-methyl-1,4-diazepan-1-yl)ethoxy]thieno[2,3-b]pyridine-2-carboxylate;S-tert-butyl 5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carbothioate;4,5,6-trimethyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)thieno[2,3-b]pyridin-3-amine;4,5,6-trimethyl-2-(5-phenyl-1,3-oxazol-2-yl)thieno[2,3-b]pyridin-3-amine;4,5,6-trimethyl-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)thieno[2,3-b]pyridin-3-amine (PubChem CID 160649901) has the molecular formula C117H144N22O10S7 and a molecular weight of 2243.05 g/mol. Its IUPAC name is tert-butyl 3-amino-5-[2-[4-[3-(dimethylamino)propyl]piperazin-1-yl]ethoxy]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-[2-(4-methyl-1,4-diazepan-1-yl)ethoxy]thieno[2,3-b]pyridine-2-carboxylate;S-tert-butyl 5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carbothioate;4,5,6-trimethyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)thieno[2,3-b]pyridin-3-amine;4,5,6-trimethyl-2-(5-phenyl-1,3-oxazol-2-yl)thieno[2,3-b]pyridin-3-amine;4,5,6-trimethyl-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)thieno[2,3-b]pyridin-3-amine.

Molecular Properties

• Compound Name: tert-butyl 3-amino-5-[2-[4-[3-(dimethylamino)propyl]piperazin-1-yl]ethoxy]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-[2-(4-methyl-1,4-diazepan-1-yl)ethoxy]thieno[2,3-b]pyridine-2-carboxylate;S-tert-butyl 5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carbothioate;4,5,6-trimethyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)thieno[2,3-b]pyridin-3-amine;4,5,6-trimethyl-2-(5-phenyl-1,3-oxazol-2-yl)thieno[2,3-b]pyridin-3-amine;4,5,6-trimethyl-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)thieno[2,3-b]pyridin-3-amine
• PubChem CID: 160649901
• Molecular Formula: C117H144N22O10S7
• Molecular Weight: 2243.05 g/mol
• Exact Mass: 2240.95
• IUPAC Name: tert-butyl 3-amino-5-[2-[4-[3-(dimethylamino)propyl]piperazin-1-yl]ethoxy]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-[2-(4-methyl-1,4-diazepan-1-yl)ethoxy]thieno[2,3-b]pyridine-2-carboxylate;S-tert-butyl 5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carbothioate;4,5,6-trimethyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)thieno[2,3-b]pyridin-3-amine;4,5,6-trimethyl-2-(5-phenyl-1,3-oxazol-2-yl)thieno[2,3-b]pyridin-3-amine;4,5,6-trimethyl-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)thieno[2,3-b]pyridin-3-amine
• SMILES: CCc1c(C)nc2sc(C(=O)SC(C)(C)C)cc2c1C.Cc1nc2sc(-c3nc(-c4ccccc4)no3)c(N)c2c(C)c1C.Cc1nc2sc(-c3nc(-c4cccnc4)no3)c(N)c2c(C)c1C.Cc1nc2sc(-c3ncc(-c4ccccc4)o3)c(N)c2c(C)c1C.Cc1nc2sc(C(=O)OC(C)(C)C)c(N)c2c(C)c1OCCN1CCCN(C)CC1.Cc1nc2sc(C(=O)OC(C)(C)C)c(N)c2c(C)c1OCCN1CCN(CCCN(C)C)CC1
• InChI: InChI=1S/C25H41N5O3S.C22H34N4O3S.C19H17N3OS.C18H16N4OS.C17H15N5OS.C16H21NOS2/c1-17-19-20(26)22(24(31)33-25(3,4)5)34-23(19)27-18(2)21(17)32-16-15-30-13-11-29(12-14-30)10-8-9-28(6)7;1-14-16-17(23)19(21(27)29-22(3,4)5)30-20(16)24-15(2)18(14)28-13-12-26-9-7-8-25(6)10-11-26;1-10-11(2)15-16(20)17(24-19(15)22-12(10)3)18-21-9-14(23-18)13-7-5-4-6-8-13;1-9-10(2)13-14(19)15(24-18(13)20-11(9)3)17-21-16(22-23-17)12-7-5-4-6-8-12;1-8-9(2)12-13(18)14(24-17(12)20-10(8)3)16-21-15(22-23-16)11-5-4-6-19-7-11;1-7-11-9(2)12-8-13(15(18)20-16(4,5)6)19-14(12)17-10(11)3/h8-16,26H2,1-7H3;7-13,23H2,1-6H3;4-9H,20H2,1-3H3;4-8H,19H2,1-3H3;4-7H,18H2,1-3H3;8H,7H2,1-6H3
• InChIKey: RKGZEBMGNOACEK-UHFFFAOYSA-N
• XLogP: 25.58
• TPSA: 428.53 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 39
• Rotatable Bonds: 22
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2243.05
LogP ≤ 5	25.58
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'thioester', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-amino-5-[2-[4-[3-(dimethylamino)propyl]piperazin-1-yl]ethoxy]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-[2-(4-methyl-1,4-diazepan-1-yl)ethoxy]thieno[2,3-b]pyridine-2-carboxylate;S-tert-butyl 5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carbothioate;4,5,6-trimethyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)thieno[2,3-b]pyridin-3-amine;4,5,6-trimethyl-2-(5-phenyl-1,3-oxazol-2-yl)thieno[2,3-b]pyridin-3-amine;4,5,6-trimethyl-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)thieno[2,3-b]pyridin-3-amine?

The IUPAC name of tert-butyl 3-amino-5-[2-[4-[3-(dimethylamino)propyl]piperazin-1-yl]ethoxy]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-[2-(4-methyl-1,4-diazepan-1-yl)ethoxy]thieno[2,3-b]pyridine-2-carboxylate;S-tert-butyl 5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carbothioate;4,5,6-trimethyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)thieno[2,3-b]pyridin-3-amine;4,5,6-trimethyl-2-(5-phenyl-1,3-oxazol-2-yl)thieno[2,3-b]pyridin-3-amine;4,5,6-trimethyl-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)thieno[2,3-b]pyridin-3-amine (CID 160649901) is tert-butyl 3-amino-5-[2-[4-[3-(dimethylamino)propyl]piperazin-1-yl]ethoxy]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-[2-(4-methyl-1,4-diazepan-1-yl)ethoxy]thieno[2,3-b]pyridine-2-carboxylate;S-tert-butyl 5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carbothioate;4,5,6-trimethyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)thieno[2,3-b]pyridin-3-amine;4,5,6-trimethyl-2-(5-phenyl-1,3-oxazol-2-yl)thieno[2,3-b]pyridin-3-amine;4,5,6-trimethyl-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)thieno[2,3-b]pyridin-3-amine.

What is the SMILES notation for tert-butyl 3-amino-5-[2-[4-[3-(dimethylamino)propyl]piperazin-1-yl]ethoxy]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-[2-(4-methyl-1,4-diazepan-1-yl)ethoxy]thieno[2,3-b]pyridine-2-carboxylate;S-tert-butyl 5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carbothioate;4,5,6-trimethyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)thieno[2,3-b]pyridin-3-amine;4,5,6-trimethyl-2-(5-phenyl-1,3-oxazol-2-yl)thieno[2,3-b]pyridin-3-amine;4,5,6-trimethyl-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)thieno[2,3-b]pyridin-3-amine?

The canonical SMILES for tert-butyl 3-amino-5-[2-[4-[3-(dimethylamino)propyl]piperazin-1-yl]ethoxy]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-[2-(4-methyl-1,4-diazepan-1-yl)ethoxy]thieno[2,3-b]pyridine-2-carboxylate;S-tert-butyl 5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carbothioate;4,5,6-trimethyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)thieno[2,3-b]pyridin-3-amine;4,5,6-trimethyl-2-(5-phenyl-1,3-oxazol-2-yl)thieno[2,3-b]pyridin-3-amine;4,5,6-trimethyl-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)thieno[2,3-b]pyridin-3-amine is CCc1c(C)nc2sc(C(=O)SC(C)(C)C)cc2c1C.Cc1nc2sc(-c3nc(-c4ccccc4)no3)c(N)c2c(C)c1C.Cc1nc2sc(-c3nc(-c4cccnc4)no3)c(N)c2c(C)c1C.Cc1nc2sc(-c3ncc(-c4ccccc4)o3)c(N)c2c(C)c1C.Cc1nc2sc(C(=O)OC(C)(C)C)c(N)c2c(C)c1OCCN1CCCN(C)CC1.Cc1nc2sc(C(=O)OC(C)(C)C)c(N)c2c(C)c1OCCN1CCN(CCCN(C)C)CC1.

What is the InChIKey of tert-butyl 3-amino-5-[2-[4-[3-(dimethylamino)propyl]piperazin-1-yl]ethoxy]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-[2-(4-methyl-1,4-diazepan-1-yl)ethoxy]thieno[2,3-b]pyridine-2-carboxylate;S-tert-butyl 5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carbothioate;4,5,6-trimethyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)thieno[2,3-b]pyridin-3-amine;4,5,6-trimethyl-2-(5-phenyl-1,3-oxazol-2-yl)thieno[2,3-b]pyridin-3-amine;4,5,6-trimethyl-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)thieno[2,3-b]pyridin-3-amine?

The InChIKey is RKGZEBMGNOACEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H41N5O3S.C22H34N4O3S.C19H17N3OS.C18H16N4OS.C17H15N5OS.C16H21NOS2/c1-17-19-20(26)22(24(31)33-25(3,4)5)34-23(19)27-18(2)21(17)32-16-15-30-13-11-29(12-14-30)10-8-9-28(6)7;1-14-16-17(23)19(21(27)29-22(3,4)5)30-20(16)24-15(2)18(14)28-13-12-26-9-7-8-25(6)10-11-26;1-10-11(2)15-16(20)17(24-19(15)22-12(10)3)18-21-9-14(23-18)13-7-5-4-6-8-13;1-9-10(2)13-14(19)15(24-18(13)20-11(9)3)17-21-16(22-23-17)12-7-5-4-6-8-12;1-8-9(2)12-13(18)14(24-17(12)20-10(8)3)16-21-15(22-23-16)11-5-4-6-19-7-11;1-7-11-9(2)12-8-13(15(18)20-16(4,5)6)19-14(12)17-10(11)3/h8-16,26H2,1-7H3;7-13,23H2,1-6H3;4-9H,20H2,1-3H3;4-8H,19H2,1-3H3;4-7H,18H2,1-3H3;8H,7H2,1-6H3.

What are the key properties of tert-butyl 3-amino-5-[2-[4-[3-(dimethylamino)propyl]piperazin-1-yl]ethoxy]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-[2-(4-methyl-1,4-diazepan-1-yl)ethoxy]thieno[2,3-b]pyridine-2-carboxylate;S-tert-butyl 5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carbothioate;4,5,6-trimethyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)thieno[2,3-b]pyridin-3-amine;4,5,6-trimethyl-2-(5-phenyl-1,3-oxazol-2-yl)thieno[2,3-b]pyridin-3-amine;4,5,6-trimethyl-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)thieno[2,3-b]pyridin-3-amine?

tert-butyl 3-amino-5-[2-[4-[3-(dimethylamino)propyl]piperazin-1-yl]ethoxy]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-[2-(4-methyl-1,4-diazepan-1-yl)ethoxy]thieno[2,3-b]pyridine-2-carboxylate;S-tert-butyl 5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carbothioate;4,5,6-trimethyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)thieno[2,3-b]pyridin-3-amine;4,5,6-trimethyl-2-(5-phenyl-1,3-oxazol-2-yl)thieno[2,3-b]pyridin-3-amine;4,5,6-trimethyl-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)thieno[2,3-b]pyridin-3-amine has a molecular weight of 2243.05 g/mol, XLogP of 25.58, 22 rotatable bonds, 5 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 3-amino-5-[2-[4-[3-(dimethylamino)propyl]piperazin-1-yl]ethoxy]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-[2-(4-methyl-1,4-diazepan-1-yl)ethoxy]thieno[2,3-b]pyridine-2-carboxylate;S-tert-butyl 5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carbothioate;4,5,6-trimethyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)thieno[2,3-b]pyridin-3-amine;4,5,6-trimethyl-2-(5-phenyl-1,3-oxazol-2-yl)thieno[2,3-b]pyridin-3-amine;4,5,6-trimethyl-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)thieno[2,3-b]pyridin-3-amine is sourced from PubChem (CID 160649901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).