4-(2-cyclopropyl-3-methylimidazol-4-yl)-2-(2-methoxyethylsulfinyl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-(2-methoxyethylsulfinyl)-4-(3-methyl-2-propan-2-ylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine

C40H44N10O4S6 — CID 157165944

About 4-(2-cyclopropyl-3-methylimidazol-4-yl)-2-(2-methoxyethylsulfinyl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-(2-methoxyethylsulfinyl)-4-(3-methyl-2-propan-2-ylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine

4-(2-cyclopropyl-3-methylimidazol-4-yl)-2-(2-methoxyethylsulfinyl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-(2-methoxyethylsulfinyl)-4-(3-methyl-2-propan-2-ylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine (PubChem CID 157165944) has the molecular formula C40H44N10O4S6 and a molecular weight of 921.26 g/mol. Its IUPAC name is 4-(2-cyclopropyl-3-methylimidazol-4-yl)-2-(2-methoxyethylsulfinyl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-(2-methoxyethylsulfinyl)-4-(3-methyl-2-propan-2-ylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine.

Molecular Properties

• Compound Name: 4-(2-cyclopropyl-3-methylimidazol-4-yl)-2-(2-methoxyethylsulfinyl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-(2-methoxyethylsulfinyl)-4-(3-methyl-2-propan-2-ylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine
• PubChem CID: 157165944
• Molecular Formula: C40H44N10O4S6
• Molecular Weight: 921.26 g/mol
• Exact Mass: 920.19
• IUPAC Name: 4-(2-cyclopropyl-3-methylimidazol-4-yl)-2-(2-methoxyethylsulfinyl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-(2-methoxyethylsulfinyl)-4-(3-methyl-2-propan-2-ylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine
• SMILES: COCCS(=O)c1sc2nc(-c3nccs3)cc(-c3cnc(C(C)C)n3C)c2c1N.COCCS(=O)c1sc2nc(-c3nccs3)cc(-c3cnc(C4CC4)n3C)c2c1N
• InChI: InChI=1S/C20H21N5O2S3.C20H23N5O2S3/c1-25-14(10-23-17(25)11-3-4-11)12-9-13(18-22-5-7-28-18)24-19-15(12)16(21)20(29-19)30(26)8-6-27-2;1-11(2)17-23-10-14(25(17)3)12-9-13(18-22-5-7-28-18)24-19-15(12)16(21)20(29-19)30(26)8-6-27-4/h5,7,9-11H,3-4,6,8,21H2,1-2H3;5,7,9-11H,6,8,21H2,1-4H3
• InChIKey: AMXJKCKPYYDMRA-UHFFFAOYSA-N
• XLogP: 8.31
• TPSA: 191.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 18
• Rotatable Bonds: 14
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	921.26
LogP ≤ 5	8.31
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclopropyl-3-methylimidazol-4-yl)-2-(2-methoxyethylsulfinyl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-(2-methoxyethylsulfinyl)-4-(3-methyl-2-propan-2-ylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine?

The IUPAC name of 4-(2-cyclopropyl-3-methylimidazol-4-yl)-2-(2-methoxyethylsulfinyl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-(2-methoxyethylsulfinyl)-4-(3-methyl-2-propan-2-ylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine (CID 157165944) is 4-(2-cyclopropyl-3-methylimidazol-4-yl)-2-(2-methoxyethylsulfinyl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-(2-methoxyethylsulfinyl)-4-(3-methyl-2-propan-2-ylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine.

What is the SMILES notation for 4-(2-cyclopropyl-3-methylimidazol-4-yl)-2-(2-methoxyethylsulfinyl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-(2-methoxyethylsulfinyl)-4-(3-methyl-2-propan-2-ylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine?

The canonical SMILES for 4-(2-cyclopropyl-3-methylimidazol-4-yl)-2-(2-methoxyethylsulfinyl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-(2-methoxyethylsulfinyl)-4-(3-methyl-2-propan-2-ylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine is COCCS(=O)c1sc2nc(-c3nccs3)cc(-c3cnc(C(C)C)n3C)c2c1N.COCCS(=O)c1sc2nc(-c3nccs3)cc(-c3cnc(C4CC4)n3C)c2c1N.

What is the InChIKey of 4-(2-cyclopropyl-3-methylimidazol-4-yl)-2-(2-methoxyethylsulfinyl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-(2-methoxyethylsulfinyl)-4-(3-methyl-2-propan-2-ylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine?

The InChIKey is AMXJKCKPYYDMRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2S3.C20H23N5O2S3/c1-25-14(10-23-17(25)11-3-4-11)12-9-13(18-22-5-7-28-18)24-19-15(12)16(21)20(29-19)30(26)8-6-27-2;1-11(2)17-23-10-14(25(17)3)12-9-13(18-22-5-7-28-18)24-19-15(12)16(21)20(29-19)30(26)8-6-27-4/h5,7,9-11H,3-4,6,8,21H2,1-2H3;5,7,9-11H,6,8,21H2,1-4H3.

What are the key properties of 4-(2-cyclopropyl-3-methylimidazol-4-yl)-2-(2-methoxyethylsulfinyl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-(2-methoxyethylsulfinyl)-4-(3-methyl-2-propan-2-ylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine?

4-(2-cyclopropyl-3-methylimidazol-4-yl)-2-(2-methoxyethylsulfinyl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-(2-methoxyethylsulfinyl)-4-(3-methyl-2-propan-2-ylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine has a molecular weight of 921.26 g/mol, XLogP of 8.31, 14 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2-cyclopropyl-3-methylimidazol-4-yl)-2-(2-methoxyethylsulfinyl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-(2-methoxyethylsulfinyl)-4-(3-methyl-2-propan-2-ylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine is sourced from PubChem (CID 157165944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).