2-[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]ethanol;2-[[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methoxy]ethanol;2-butylsulfinyl-4-(2-chloro-3-methylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-(2-methoxyethylsulfinyl)-4,6-bis(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;methyl 2-[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]acetate

C102H103ClN18O11S16 — CID 159610360

About 2-[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]ethanol;2-[[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methoxy]ethanol;2-butylsulfinyl-4-(2-chloro-3-methylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-(2-methoxyethylsulfinyl)-4,6-bis(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;methyl 2-[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]acetate

2-[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]ethanol;2-[[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methoxy]ethanol;2-butylsulfinyl-4-(2-chloro-3-methylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-(2-methoxyethylsulfinyl)-4,6-bis(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;methyl 2-[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]acetate (PubChem CID 159610360) has the molecular formula C102H103ClN18O11S16 and a molecular weight of 2305.59 g/mol. Its IUPAC name is 2-[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]ethanol;2-[[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methoxy]ethanol;2-butylsulfinyl-4-(2-chloro-3-methylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-(2-methoxyethylsulfinyl)-4,6-bis(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;methyl 2-[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]acetate.

Molecular Properties

• Compound Name: 2-[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]ethanol;2-[[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methoxy]ethanol;2-butylsulfinyl-4-(2-chloro-3-methylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-(2-methoxyethylsulfinyl)-4,6-bis(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;methyl 2-[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]acetate
• PubChem CID: 159610360
• Molecular Formula: C102H103ClN18O11S16
• Molecular Weight: 2305.59 g/mol
• Exact Mass: 2302.33
• IUPAC Name: 2-[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]ethanol;2-[[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methoxy]ethanol;2-butylsulfinyl-4-(2-chloro-3-methylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-(2-methoxyethylsulfinyl)-4,6-bis(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;methyl 2-[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]acetate
• SMILES: CCCCS(=O)c1sc2nc(-c3nccs3)cc(-c3ccc(CC(=O)OC)cc3)c2c1N.CCCCS(=O)c1sc2nc(-c3nccs3)cc(-c3ccc(CCO)cc3)c2c1N.CCCCS(=O)c1sc2nc(-c3nccs3)cc(-c3ccc(COCCO)cc3)c2c1N.CCCCS(=O)c1sc2nc(-c3nccs3)cc(-c3cnc(Cl)n3C)c2c1N.COCCS(=O)c1sc2nc(-c3nccs3)cc(-c3nccs3)c2c1N
• InChI: InChI=1S/C23H23N3O3S3.C23H25N3O3S3.C22H23N3O2S3.C18H18ClN5OS3.C16H14N4O2S4/c1-3-4-11-32(28)23-20(24)19-16(15-7-5-14(6-8-15)12-18(27)29-2)13-17(26-22(19)31-23)21-25-9-10-30-21;1-2-3-12-32(28)23-20(24)19-17(16-6-4-15(5-7-16)14-29-10-9-27)13-18(26-22(19)31-23)21-25-8-11-30-21;1-2-3-12-30(27)22-19(23)18-16(15-6-4-14(5-7-15)8-10-26)13-17(25-21(18)29-22)20-24-9-11-28-20;1-3-4-7-28(25)17-14(20)13-10(12-9-22-18(19)24(12)2)8-11(23-16(13)27-17)15-21-5-6-26-15;1-22-4-7-26(21)16-12(17)11-9(13-18-2-5-23-13)8-10(20-15(11)25-16)14-19-3-6-24-14/h5-10,13H,3-4,11-12,24H2,1-2H3;4-8,11,13,27H,2-3,9-10,12,14,24H2,1H3;4-7,9,11,13,26H,2-3,8,10,12,23H2,1H3;5-6,8-9H,3-4,7,20H2,1-2H3;2-3,5-6,8H,4,7,17H2,1H3
• InChIKey: MMPPDVFCHABUEZ-UHFFFAOYSA-N
• XLogP: 24.33
• TPSA: 460.28 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 40
• Rotatable Bonds: 38
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2305.59
LogP ≤ 5	24.33
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]ethanol;2-[[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methoxy]ethanol;2-butylsulfinyl-4-(2-chloro-3-methylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-(2-methoxyethylsulfinyl)-4,6-bis(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;methyl 2-[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]acetate?

The IUPAC name of 2-[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]ethanol;2-[[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methoxy]ethanol;2-butylsulfinyl-4-(2-chloro-3-methylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-(2-methoxyethylsulfinyl)-4,6-bis(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;methyl 2-[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]acetate (CID 159610360) is 2-[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]ethanol;2-[[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methoxy]ethanol;2-butylsulfinyl-4-(2-chloro-3-methylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-(2-methoxyethylsulfinyl)-4,6-bis(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;methyl 2-[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]acetate.

What is the SMILES notation for 2-[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]ethanol;2-[[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methoxy]ethanol;2-butylsulfinyl-4-(2-chloro-3-methylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-(2-methoxyethylsulfinyl)-4,6-bis(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;methyl 2-[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]acetate?

The canonical SMILES for 2-[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]ethanol;2-[[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methoxy]ethanol;2-butylsulfinyl-4-(2-chloro-3-methylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-(2-methoxyethylsulfinyl)-4,6-bis(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;methyl 2-[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]acetate is CCCCS(=O)c1sc2nc(-c3nccs3)cc(-c3ccc(CC(=O)OC)cc3)c2c1N.CCCCS(=O)c1sc2nc(-c3nccs3)cc(-c3ccc(CCO)cc3)c2c1N.CCCCS(=O)c1sc2nc(-c3nccs3)cc(-c3ccc(COCCO)cc3)c2c1N.CCCCS(=O)c1sc2nc(-c3nccs3)cc(-c3cnc(Cl)n3C)c2c1N.COCCS(=O)c1sc2nc(-c3nccs3)cc(-c3nccs3)c2c1N.

What is the InChIKey of 2-[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]ethanol;2-[[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methoxy]ethanol;2-butylsulfinyl-4-(2-chloro-3-methylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-(2-methoxyethylsulfinyl)-4,6-bis(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;methyl 2-[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]acetate?

The InChIKey is MMPPDVFCHABUEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3S3.C23H25N3O3S3.C22H23N3O2S3.C18H18ClN5OS3.C16H14N4O2S4/c1-3-4-11-32(28)23-20(24)19-16(15-7-5-14(6-8-15)12-18(27)29-2)13-17(26-22(19)31-23)21-25-9-10-30-21;1-2-3-12-32(28)23-20(24)19-17(16-6-4-15(5-7-16)14-29-10-9-27)13-18(26-22(19)31-23)21-25-8-11-30-21;1-2-3-12-30(27)22-19(23)18-16(15-6-4-14(5-7-15)8-10-26)13-17(25-21(18)29-22)20-24-9-11-28-20;1-3-4-7-28(25)17-14(20)13-10(12-9-22-18(19)24(12)2)8-11(23-16(13)27-17)15-21-5-6-26-15;1-22-4-7-26(21)16-12(17)11-9(13-18-2-5-23-13)8-10(20-15(11)25-16)14-19-3-6-24-14/h5-10,13H,3-4,11-12,24H2,1-2H3;4-8,11,13,27H,2-3,9-10,12,14,24H2,1H3;4-7,9,11,13,26H,2-3,8,10,12,23H2,1H3;5-6,8-9H,3-4,7,20H2,1-2H3;2-3,5-6,8H,4,7,17H2,1H3.

What are the key properties of 2-[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]ethanol;2-[[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methoxy]ethanol;2-butylsulfinyl-4-(2-chloro-3-methylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-(2-methoxyethylsulfinyl)-4,6-bis(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;methyl 2-[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]acetate?

2-[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]ethanol;2-[[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methoxy]ethanol;2-butylsulfinyl-4-(2-chloro-3-methylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-(2-methoxyethylsulfinyl)-4,6-bis(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;methyl 2-[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]acetate has a molecular weight of 2305.59 g/mol, XLogP of 24.33, 38 rotatable bonds, 7 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]ethanol;2-[[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methoxy]ethanol;2-butylsulfinyl-4-(2-chloro-3-methylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-(2-methoxyethylsulfinyl)-4,6-bis(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;methyl 2-[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]acetate is sourced from PubChem (CID 159610360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).