2-(2-methoxyethylsulfinyl)-4-(3-methylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine

C19H19N5O2S2 — CID 142485741

IUPAC2-(2-methoxyethylsulfinyl)-4-(3-methylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine
SMILESCOCCS(=O)c1sc2nc(-c3cccnc3)cc(-c3cncn3C)c2c1N
InChIInChI=1S/C19H19N5O2S2/c1-24-11-22-10-15(24)13-8-14(12-4-3-5-21-9-12)23-18-16(13)17(20)19(27-18)28(25)7-6-26-2/h3-5,8-11H,6-7,20H2,1-2H3
InChIKeyZRJUGDJRODNPRU-UHFFFAOYSA-N
MW413.53 g/mol
LogP3.10
Rot. Bonds6

About 2-(2-methoxyethylsulfinyl)-4-(3-methylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine

2-(2-methoxyethylsulfinyl)-4-(3-methylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine (PubChem CID 142485741) has the molecular formula C19H19N5O2S2 and a molecular weight of 413.53 g/mol. Its IUPAC name is 2-(2-methoxyethylsulfinyl)-4-(3-methylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine.

Molecular Properties

Compound Name2-(2-methoxyethylsulfinyl)-4-(3-methylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine
PubChem CID142485741
Molecular FormulaC19H19N5O2S2
Molecular Weight413.53 g/mol
Exact Mass413.10
IUPAC Name2-(2-methoxyethylsulfinyl)-4-(3-methylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine
SMILESCOCCS(=O)c1sc2nc(-c3cccnc3)cc(-c3cncn3C)c2c1N
InChIInChI=1S/C19H19N5O2S2/c1-24-11-22-10-15(24)13-8-14(12-4-3-5-21-9-12)23-18-16(13)17(20)19(27-18)28(25)7-6-26-2/h3-5,8-11H,6-7,20H2,1-2H3
InChIKeyZRJUGDJRODNPRU-UHFFFAOYSA-N
XLogP3.10
TPSA95.92 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.53
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylsulfinyl)-4-(3-methylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine?
The IUPAC name of 2-(2-methoxyethylsulfinyl)-4-(3-methylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine (CID 142485741) is 2-(2-methoxyethylsulfinyl)-4-(3-methylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine.
What is the SMILES notation for 2-(2-methoxyethylsulfinyl)-4-(3-methylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine?
The canonical SMILES for 2-(2-methoxyethylsulfinyl)-4-(3-methylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine is COCCS(=O)c1sc2nc(-c3cccnc3)cc(-c3cncn3C)c2c1N.
What is the InChIKey of 2-(2-methoxyethylsulfinyl)-4-(3-methylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine?
The InChIKey is ZRJUGDJRODNPRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2S2/c1-24-11-22-10-15(24)13-8-14(12-4-3-5-21-9-12)23-18-16(13)17(20)19(27-18)28(25)7-6-26-2/h3-5,8-11H,6-7,20H2,1-2H3.
What are the key properties of 2-(2-methoxyethylsulfinyl)-4-(3-methylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine?
2-(2-methoxyethylsulfinyl)-4-(3-methylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine has a molecular weight of 413.53 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylsulfinyl)-4-(3-methylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine is sourced from PubChem (CID 142485741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).