3-[3-[(2-methoxyethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]sulfanylbutan-1-ol

C15H23N3O2S — CID 66136871

IUPAC3-[3-[(2-methoxyethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]sulfanylbutan-1-ol
SMILESCOCCNCc1c(SC(C)CCO)nc2ccccn12
InChIInChI=1S/C15H23N3O2S/c1-12(6-9-19)21-15-13(11-16-7-10-20-2)18-8-4-3-5-14(18)17-15/h3-5,8,12,16,19H,6-7,9-11H2,1-2H3
InChIKeyZEHJNBQREQFGCY-UHFFFAOYSA-N
MW309.44 g/mol
LogP1.93
Rot. Bonds9

About 3-[3-[(2-methoxyethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]sulfanylbutan-1-ol

3-[3-[(2-methoxyethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]sulfanylbutan-1-ol (PubChem CID 66136871) has the molecular formula C15H23N3O2S and a molecular weight of 309.44 g/mol. Its IUPAC name is 3-[3-[(2-methoxyethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]sulfanylbutan-1-ol.

Molecular Properties

Compound Name3-[3-[(2-methoxyethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]sulfanylbutan-1-ol
PubChem CID66136871
Molecular FormulaC15H23N3O2S
Molecular Weight309.44 g/mol
Exact Mass309.15
IUPAC Name3-[3-[(2-methoxyethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]sulfanylbutan-1-ol
SMILESCOCCNCc1c(SC(C)CCO)nc2ccccn12
InChIInChI=1S/C15H23N3O2S/c1-12(6-9-19)21-15-13(11-16-7-10-20-2)18-8-4-3-5-14(18)17-15/h3-5,8,12,16,19H,6-7,9-11H2,1-2H3
InChIKeyZEHJNBQREQFGCY-UHFFFAOYSA-N
XLogP1.93
TPSA58.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[(2-methoxyethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]sulfanylbutan-1-ol?
The IUPAC name of 3-[3-[(2-methoxyethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]sulfanylbutan-1-ol (CID 66136871) is 3-[3-[(2-methoxyethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]sulfanylbutan-1-ol.
What is the SMILES notation for 3-[3-[(2-methoxyethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]sulfanylbutan-1-ol?
The canonical SMILES for 3-[3-[(2-methoxyethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]sulfanylbutan-1-ol is COCCNCc1c(SC(C)CCO)nc2ccccn12.
What is the InChIKey of 3-[3-[(2-methoxyethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]sulfanylbutan-1-ol?
The InChIKey is ZEHJNBQREQFGCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-12(6-9-19)21-15-13(11-16-7-10-20-2)18-8-4-3-5-14(18)17-15/h3-5,8,12,16,19H,6-7,9-11H2,1-2H3.
What are the key properties of 3-[3-[(2-methoxyethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]sulfanylbutan-1-ol?
3-[3-[(2-methoxyethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]sulfanylbutan-1-ol has a molecular weight of 309.44 g/mol, XLogP of 1.93, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(2-methoxyethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]sulfanylbutan-1-ol is sourced from PubChem (CID 66136871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).