2-(2-methoxyethylsulfanyl)-4-(3-methylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-(3-methoxypropylsulfanyl)-4-(3-methylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine

C35H36N10O2S6 — CID 142485779

About 2-(2-methoxyethylsulfanyl)-4-(3-methylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-(3-methoxypropylsulfanyl)-4-(3-methylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine

2-(2-methoxyethylsulfanyl)-4-(3-methylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-(3-methoxypropylsulfanyl)-4-(3-methylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine (PubChem CID 142485779) has the molecular formula C35H36N10O2S6 and a molecular weight of 821.14 g/mol. Its IUPAC name is 2-(2-methoxyethylsulfanyl)-4-(3-methylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-(3-methoxypropylsulfanyl)-4-(3-methylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine.

Molecular Properties

• Compound Name: 2-(2-methoxyethylsulfanyl)-4-(3-methylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-(3-methoxypropylsulfanyl)-4-(3-methylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine
• PubChem CID: 142485779
• Molecular Formula: C35H36N10O2S6
• Molecular Weight: 821.14 g/mol
• Exact Mass: 820.13
• IUPAC Name: 2-(2-methoxyethylsulfanyl)-4-(3-methylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-(3-methoxypropylsulfanyl)-4-(3-methylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine
• SMILES: COCCCSc1sc2nc(-c3nccs3)cc(-c3cncn3C)c2c1N.COCCSc1sc2nc(-c3nccs3)cc(-c3cncn3C)c2c1N
• InChI: InChI=1S/C18H19N5OS3.C17H17N5OS3/c1-23-10-20-9-13(23)11-8-12(16-21-4-7-25-16)22-17-14(11)15(19)18(27-17)26-6-3-5-24-2;1-22-9-19-8-12(22)10-7-11(15-20-3-5-24-15)21-16-13(10)14(18)17(26-16)25-6-4-23-2/h4,7-10H,3,5-6,19H2,1-2H3;3,5,7-9H,4,6,18H2,1-2H3
• InChIKey: CTKZTKMLEFNHDI-UHFFFAOYSA-N
• XLogP: 8.67
• TPSA: 157.70 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 18
• Rotatable Bonds: 13
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	821.14
LogP ≤ 5	8.67
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylsulfanyl)-4-(3-methylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-(3-methoxypropylsulfanyl)-4-(3-methylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine?

The IUPAC name of 2-(2-methoxyethylsulfanyl)-4-(3-methylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-(3-methoxypropylsulfanyl)-4-(3-methylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine (CID 142485779) is 2-(2-methoxyethylsulfanyl)-4-(3-methylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-(3-methoxypropylsulfanyl)-4-(3-methylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine.

What is the SMILES notation for 2-(2-methoxyethylsulfanyl)-4-(3-methylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-(3-methoxypropylsulfanyl)-4-(3-methylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine?

The canonical SMILES for 2-(2-methoxyethylsulfanyl)-4-(3-methylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-(3-methoxypropylsulfanyl)-4-(3-methylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine is COCCCSc1sc2nc(-c3nccs3)cc(-c3cncn3C)c2c1N.COCCSc1sc2nc(-c3nccs3)cc(-c3cncn3C)c2c1N.

What is the InChIKey of 2-(2-methoxyethylsulfanyl)-4-(3-methylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-(3-methoxypropylsulfanyl)-4-(3-methylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine?

The InChIKey is CTKZTKMLEFNHDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5OS3.C17H17N5OS3/c1-23-10-20-9-13(23)11-8-12(16-21-4-7-25-16)22-17-14(11)15(19)18(27-17)26-6-3-5-24-2;1-22-9-19-8-12(22)10-7-11(15-20-3-5-24-15)21-16-13(10)14(18)17(26-16)25-6-4-23-2/h4,7-10H,3,5-6,19H2,1-2H3;3,5,7-9H,4,6,18H2,1-2H3.

What are the key properties of 2-(2-methoxyethylsulfanyl)-4-(3-methylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-(3-methoxypropylsulfanyl)-4-(3-methylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine?

2-(2-methoxyethylsulfanyl)-4-(3-methylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-(3-methoxypropylsulfanyl)-4-(3-methylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine has a molecular weight of 821.14 g/mol, XLogP of 8.67, 13 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-methoxyethylsulfanyl)-4-(3-methylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-(3-methoxypropylsulfanyl)-4-(3-methylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine is sourced from PubChem (CID 142485779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).