4-(2,3-dimethylimidazol-4-yl)-2-(2-methoxyethylsulfinyl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine

C18H19N5O2S3 — CID 118059050

IUPAC4-(2,3-dimethylimidazol-4-yl)-2-(2-methoxyethylsulfinyl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine
SMILESCOCCS(=O)c1sc2nc(-c3nccs3)cc(-c3cnc(C)n3C)c2c1N
InChIInChI=1S/C18H19N5O2S3/c1-10-21-9-13(23(10)2)11-8-12(16-20-4-6-26-16)22-17-14(11)15(19)18(27-17)28(24)7-5-25-3/h4,6,8-9H,5,7,19H2,1-3H3
InChIKeyCODOEAGTQUBEHK-UHFFFAOYSA-N
MW433.58 g/mol
LogP3.46
Rot. Bonds6

About 4-(2,3-dimethylimidazol-4-yl)-2-(2-methoxyethylsulfinyl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine

4-(2,3-dimethylimidazol-4-yl)-2-(2-methoxyethylsulfinyl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine (PubChem CID 118059050) has the molecular formula C18H19N5O2S3 and a molecular weight of 433.58 g/mol. Its IUPAC name is 4-(2,3-dimethylimidazol-4-yl)-2-(2-methoxyethylsulfinyl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine.

Molecular Properties

Compound Name4-(2,3-dimethylimidazol-4-yl)-2-(2-methoxyethylsulfinyl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine
PubChem CID118059050
Molecular FormulaC18H19N5O2S3
Molecular Weight433.58 g/mol
Exact Mass433.07
IUPAC Name4-(2,3-dimethylimidazol-4-yl)-2-(2-methoxyethylsulfinyl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine
SMILESCOCCS(=O)c1sc2nc(-c3nccs3)cc(-c3cnc(C)n3C)c2c1N
InChIInChI=1S/C18H19N5O2S3/c1-10-21-9-13(23(10)2)11-8-12(16-20-4-6-26-16)22-17-14(11)15(19)18(27-17)28(24)7-5-25-3/h4,6,8-9H,5,7,19H2,1-3H3
InChIKeyCODOEAGTQUBEHK-UHFFFAOYSA-N
XLogP3.46
TPSA95.92 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.58
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dimethylimidazol-4-yl)-2-(2-methoxyethylsulfinyl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine?
The IUPAC name of 4-(2,3-dimethylimidazol-4-yl)-2-(2-methoxyethylsulfinyl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine (CID 118059050) is 4-(2,3-dimethylimidazol-4-yl)-2-(2-methoxyethylsulfinyl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine.
What is the SMILES notation for 4-(2,3-dimethylimidazol-4-yl)-2-(2-methoxyethylsulfinyl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine?
The canonical SMILES for 4-(2,3-dimethylimidazol-4-yl)-2-(2-methoxyethylsulfinyl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine is COCCS(=O)c1sc2nc(-c3nccs3)cc(-c3cnc(C)n3C)c2c1N.
What is the InChIKey of 4-(2,3-dimethylimidazol-4-yl)-2-(2-methoxyethylsulfinyl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine?
The InChIKey is CODOEAGTQUBEHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2S3/c1-10-21-9-13(23(10)2)11-8-12(16-20-4-6-26-16)22-17-14(11)15(19)18(27-17)28(24)7-5-25-3/h4,6,8-9H,5,7,19H2,1-3H3.
What are the key properties of 4-(2,3-dimethylimidazol-4-yl)-2-(2-methoxyethylsulfinyl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine?
4-(2,3-dimethylimidazol-4-yl)-2-(2-methoxyethylsulfinyl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine has a molecular weight of 433.58 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethylimidazol-4-yl)-2-(2-methoxyethylsulfinyl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine is sourced from PubChem (CID 118059050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).