3-amino-2-propylsulfinyl-6-thiophen-2-ylthieno[2,3-b]pyridine-4-carboxylic acid;2-butylsulfinyl-4,6-bis(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;ethyl 3-amino-4-(4-bromophenyl)-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridine-5-carboxylate;ethyl 3-amino-2-propylsulfinyl-6-thiophen-2-ylthieno[2,3-b]pyridine-4-carboxylate;4-phenyl-2-propan-2-ylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;6-propan-2-ylsulfinyl-4-pyridin-3-yl-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine

C108H102BrN19O12S19 — CID 159741204

About 3-amino-2-propylsulfinyl-6-thiophen-2-ylthieno[2,3-b]pyridine-4-carboxylic acid;2-butylsulfinyl-4,6-bis(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;ethyl 3-amino-4-(4-bromophenyl)-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridine-5-carboxylate;ethyl 3-amino-2-propylsulfinyl-6-thiophen-2-ylthieno[2,3-b]pyridine-4-carboxylate;4-phenyl-2-propan-2-ylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;6-propan-2-ylsulfinyl-4-pyridin-3-yl-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine

3-amino-2-propylsulfinyl-6-thiophen-2-ylthieno[2,3-b]pyridine-4-carboxylic acid;2-butylsulfinyl-4,6-bis(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;ethyl 3-amino-4-(4-bromophenyl)-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridine-5-carboxylate;ethyl 3-amino-2-propylsulfinyl-6-thiophen-2-ylthieno[2,3-b]pyridine-4-carboxylate;4-phenyl-2-propan-2-ylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;6-propan-2-ylsulfinyl-4-pyridin-3-yl-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine (PubChem CID 159741204) has the molecular formula C108H102BrN19O12S19 and a molecular weight of 2547.30 g/mol. Its IUPAC name is 3-amino-2-propylsulfinyl-6-thiophen-2-ylthieno[2,3-b]pyridine-4-carboxylic acid;2-butylsulfinyl-4,6-bis(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;ethyl 3-amino-4-(4-bromophenyl)-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridine-5-carboxylate;ethyl 3-amino-2-propylsulfinyl-6-thiophen-2-ylthieno[2,3-b]pyridine-4-carboxylate;4-phenyl-2-propan-2-ylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;6-propan-2-ylsulfinyl-4-pyridin-3-yl-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine.

Molecular Properties

• Compound Name: 3-amino-2-propylsulfinyl-6-thiophen-2-ylthieno[2,3-b]pyridine-4-carboxylic acid;2-butylsulfinyl-4,6-bis(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;ethyl 3-amino-4-(4-bromophenyl)-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridine-5-carboxylate;ethyl 3-amino-2-propylsulfinyl-6-thiophen-2-ylthieno[2,3-b]pyridine-4-carboxylate;4-phenyl-2-propan-2-ylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;6-propan-2-ylsulfinyl-4-pyridin-3-yl-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine
• PubChem CID: 159741204
• Molecular Formula: C108H102BrN19O12S19
• Molecular Weight: 2547.30 g/mol
• Exact Mass: 2543.18
• IUPAC Name: 3-amino-2-propylsulfinyl-6-thiophen-2-ylthieno[2,3-b]pyridine-4-carboxylic acid;2-butylsulfinyl-4,6-bis(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;ethyl 3-amino-4-(4-bromophenyl)-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridine-5-carboxylate;ethyl 3-amino-2-propylsulfinyl-6-thiophen-2-ylthieno[2,3-b]pyridine-4-carboxylate;4-phenyl-2-propan-2-ylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;6-propan-2-ylsulfinyl-4-pyridin-3-yl-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine
• SMILES: CC(C)S(=O)c1sc2nc(-c3nccs3)cc(-c3ccccc3)c2c1N.CC(C)S(=O)c1sc2nc(-c3nccs3)nc(-c3cccnc3)c2c1N.CCCCS(=O)c1sc2nc(-c3nccs3)c(C(=O)OCC)c(-c3ccc(Br)cc3)c2c1N.CCCCS(=O)c1sc2nc(-c3nccs3)cc(-c3nccs3)c2c1N.CCCS(=O)c1sc2nc(-c3cccs3)cc(C(=O)O)c2c1N.CCCS(=O)c1sc2nc(-c3cccs3)cc(C(=O)OCC)c2c1N
• InChI: InChI=1S/C23H22BrN3O3S3.C19H17N3OS3.C17H15N5OS3.C17H16N4OS4.C17H18N2O3S3.C15H14N2O3S3/c1-3-5-12-33(29)23-18(25)16-15(13-6-8-14(24)9-7-13)17(22(28)30-4-2)19(27-20(16)32-23)21-26-10-11-31-21;1-11(2)26(23)19-16(20)15-13(12-6-4-3-5-7-12)10-14(22-18(15)25-19)17-21-8-9-24-17;1-9(2)26(23)17-12(18)11-13(10-4-3-5-19-8-10)21-14(22-15(11)25-17)16-20-6-7-24-16;1-2-3-8-26(22)17-13(18)12-10(14-19-4-6-23-14)9-11(21-16(12)25-17)15-20-5-7-24-15;1-3-8-25(21)17-14(18)13-10(16(20)22-4-2)9-11(19-15(13)24-17)12-6-5-7-23-12;1-2-6-23(20)15-12(16)11-8(14(18)19)7-9(17-13(11)22-15)10-4-3-5-21-10/h6-11H,3-5,12,25H2,1-2H3;3-11H,20H2,1-2H3;3-9H,18H2,1-2H3;4-7,9H,2-3,8,18H2,1H3;5-7,9H,3-4,8,18H2,1-2H3;3-5,7H,2,6,16H2,1H3,(H,18,19)
• InChIKey: NCMBJAMTPNWRCT-UHFFFAOYSA-N
• XLogP: 28.83
• TPSA: 516.01 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 43
• Rotatable Bonds: 33
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2547.30
LogP ≤ 5	28.83
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	43

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-propylsulfinyl-6-thiophen-2-ylthieno[2,3-b]pyridine-4-carboxylic acid;2-butylsulfinyl-4,6-bis(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;ethyl 3-amino-4-(4-bromophenyl)-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridine-5-carboxylate;ethyl 3-amino-2-propylsulfinyl-6-thiophen-2-ylthieno[2,3-b]pyridine-4-carboxylate;4-phenyl-2-propan-2-ylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;6-propan-2-ylsulfinyl-4-pyridin-3-yl-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine?

The IUPAC name of 3-amino-2-propylsulfinyl-6-thiophen-2-ylthieno[2,3-b]pyridine-4-carboxylic acid;2-butylsulfinyl-4,6-bis(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;ethyl 3-amino-4-(4-bromophenyl)-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridine-5-carboxylate;ethyl 3-amino-2-propylsulfinyl-6-thiophen-2-ylthieno[2,3-b]pyridine-4-carboxylate;4-phenyl-2-propan-2-ylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;6-propan-2-ylsulfinyl-4-pyridin-3-yl-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine (CID 159741204) is 3-amino-2-propylsulfinyl-6-thiophen-2-ylthieno[2,3-b]pyridine-4-carboxylic acid;2-butylsulfinyl-4,6-bis(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;ethyl 3-amino-4-(4-bromophenyl)-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridine-5-carboxylate;ethyl 3-amino-2-propylsulfinyl-6-thiophen-2-ylthieno[2,3-b]pyridine-4-carboxylate;4-phenyl-2-propan-2-ylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;6-propan-2-ylsulfinyl-4-pyridin-3-yl-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine.

What is the SMILES notation for 3-amino-2-propylsulfinyl-6-thiophen-2-ylthieno[2,3-b]pyridine-4-carboxylic acid;2-butylsulfinyl-4,6-bis(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;ethyl 3-amino-4-(4-bromophenyl)-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridine-5-carboxylate;ethyl 3-amino-2-propylsulfinyl-6-thiophen-2-ylthieno[2,3-b]pyridine-4-carboxylate;4-phenyl-2-propan-2-ylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;6-propan-2-ylsulfinyl-4-pyridin-3-yl-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine?

The canonical SMILES for 3-amino-2-propylsulfinyl-6-thiophen-2-ylthieno[2,3-b]pyridine-4-carboxylic acid;2-butylsulfinyl-4,6-bis(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;ethyl 3-amino-4-(4-bromophenyl)-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridine-5-carboxylate;ethyl 3-amino-2-propylsulfinyl-6-thiophen-2-ylthieno[2,3-b]pyridine-4-carboxylate;4-phenyl-2-propan-2-ylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;6-propan-2-ylsulfinyl-4-pyridin-3-yl-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine is CC(C)S(=O)c1sc2nc(-c3nccs3)cc(-c3ccccc3)c2c1N.CC(C)S(=O)c1sc2nc(-c3nccs3)nc(-c3cccnc3)c2c1N.CCCCS(=O)c1sc2nc(-c3nccs3)c(C(=O)OCC)c(-c3ccc(Br)cc3)c2c1N.CCCCS(=O)c1sc2nc(-c3nccs3)cc(-c3nccs3)c2c1N.CCCS(=O)c1sc2nc(-c3cccs3)cc(C(=O)O)c2c1N.CCCS(=O)c1sc2nc(-c3cccs3)cc(C(=O)OCC)c2c1N.

What is the InChIKey of 3-amino-2-propylsulfinyl-6-thiophen-2-ylthieno[2,3-b]pyridine-4-carboxylic acid;2-butylsulfinyl-4,6-bis(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;ethyl 3-amino-4-(4-bromophenyl)-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridine-5-carboxylate;ethyl 3-amino-2-propylsulfinyl-6-thiophen-2-ylthieno[2,3-b]pyridine-4-carboxylate;4-phenyl-2-propan-2-ylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;6-propan-2-ylsulfinyl-4-pyridin-3-yl-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine?

The InChIKey is NCMBJAMTPNWRCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22BrN3O3S3.C19H17N3OS3.C17H15N5OS3.C17H16N4OS4.C17H18N2O3S3.C15H14N2O3S3/c1-3-5-12-33(29)23-18(25)16-15(13-6-8-14(24)9-7-13)17(22(28)30-4-2)19(27-20(16)32-23)21-26-10-11-31-21;1-11(2)26(23)19-16(20)15-13(12-6-4-3-5-7-12)10-14(22-18(15)25-19)17-21-8-9-24-17;1-9(2)26(23)17-12(18)11-13(10-4-3-5-19-8-10)21-14(22-15(11)25-17)16-20-6-7-24-16;1-2-3-8-26(22)17-13(18)12-10(14-19-4-6-23-14)9-11(21-16(12)25-17)15-20-5-7-24-15;1-3-8-25(21)17-14(18)13-10(16(20)22-4-2)9-11(19-15(13)24-17)12-6-5-7-23-12;1-2-6-23(20)15-12(16)11-8(14(18)19)7-9(17-13(11)22-15)10-4-3-5-21-10/h6-11H,3-5,12,25H2,1-2H3;3-11H,20H2,1-2H3;3-9H,18H2,1-2H3;4-7,9H,2-3,8,18H2,1H3;5-7,9H,3-4,8,18H2,1-2H3;3-5,7H,2,6,16H2,1H3,(H,18,19).

What are the key properties of 3-amino-2-propylsulfinyl-6-thiophen-2-ylthieno[2,3-b]pyridine-4-carboxylic acid;2-butylsulfinyl-4,6-bis(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;ethyl 3-amino-4-(4-bromophenyl)-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridine-5-carboxylate;ethyl 3-amino-2-propylsulfinyl-6-thiophen-2-ylthieno[2,3-b]pyridine-4-carboxylate;4-phenyl-2-propan-2-ylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;6-propan-2-ylsulfinyl-4-pyridin-3-yl-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine?

3-amino-2-propylsulfinyl-6-thiophen-2-ylthieno[2,3-b]pyridine-4-carboxylic acid;2-butylsulfinyl-4,6-bis(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;ethyl 3-amino-4-(4-bromophenyl)-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridine-5-carboxylate;ethyl 3-amino-2-propylsulfinyl-6-thiophen-2-ylthieno[2,3-b]pyridine-4-carboxylate;4-phenyl-2-propan-2-ylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;6-propan-2-ylsulfinyl-4-pyridin-3-yl-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine has a molecular weight of 2547.30 g/mol, XLogP of 28.83, 33 rotatable bonds, 7 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-2-propylsulfinyl-6-thiophen-2-ylthieno[2,3-b]pyridine-4-carboxylic acid;2-butylsulfinyl-4,6-bis(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;ethyl 3-amino-4-(4-bromophenyl)-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridine-5-carboxylate;ethyl 3-amino-2-propylsulfinyl-6-thiophen-2-ylthieno[2,3-b]pyridine-4-carboxylate;4-phenyl-2-propan-2-ylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;6-propan-2-ylsulfinyl-4-pyridin-3-yl-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine is sourced from PubChem (CID 159741204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).