2-[[3-(2-methoxyethoxy)-5-pyridin-3-yloxy-2-pyridinyl]methyl]-1,3-thiazole

C17H17N3O3S — CID 159541066

IUPAC2-[[3-(2-methoxyethoxy)-5-pyridin-3-yloxy-2-pyridinyl]methyl]-1,3-thiazole
SMILESCOCCOc1cc(Oc2cccnc2)cnc1Cc1nccs1
InChIInChI=1S/C17H17N3O3S/c1-21-6-7-22-16-9-14(23-13-3-2-4-18-11-13)12-20-15(16)10-17-19-5-8-24-17/h2-5,8-9,11-12H,6-7,10H2,1H3
InChIKeyMEFGXYJOQGXKRQ-UHFFFAOYSA-N
MW343.41 g/mol
LogP3.34
Rot. Bonds8

About 2-[[3-(2-methoxyethoxy)-5-pyridin-3-yloxy-2-pyridinyl]methyl]-1,3-thiazole

2-[[3-(2-methoxyethoxy)-5-pyridin-3-yloxy-2-pyridinyl]methyl]-1,3-thiazole (PubChem CID 159541066) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is 2-[[3-(2-methoxyethoxy)-5-pyridin-3-yloxy-2-pyridinyl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[[3-(2-methoxyethoxy)-5-pyridin-3-yloxy-2-pyridinyl]methyl]-1,3-thiazole
PubChem CID159541066
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC Name2-[[3-(2-methoxyethoxy)-5-pyridin-3-yloxy-2-pyridinyl]methyl]-1,3-thiazole
SMILESCOCCOc1cc(Oc2cccnc2)cnc1Cc1nccs1
InChIInChI=1S/C17H17N3O3S/c1-21-6-7-22-16-9-14(23-13-3-2-4-18-11-13)12-20-15(16)10-17-19-5-8-24-17/h2-5,8-9,11-12H,6-7,10H2,1H3
InChIKeyMEFGXYJOQGXKRQ-UHFFFAOYSA-N
XLogP3.34
TPSA66.36 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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 2-[[3-(2-methoxyethoxy)-5-pyridin-3-yloxy-2-pyridinyl]methyl]-1,3-thiazole?
The IUPAC name of 2-[[3-(2-methoxyethoxy)-5-pyridin-3-yloxy-2-pyridinyl]methyl]-1,3-thiazole (CID 159541066) is 2-[[3-(2-methoxyethoxy)-5-pyridin-3-yloxy-2-pyridinyl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-[[3-(2-methoxyethoxy)-5-pyridin-3-yloxy-2-pyridinyl]methyl]-1,3-thiazole?
The canonical SMILES for 2-[[3-(2-methoxyethoxy)-5-pyridin-3-yloxy-2-pyridinyl]methyl]-1,3-thiazole is COCCOc1cc(Oc2cccnc2)cnc1Cc1nccs1.
What is the InChIKey of 2-[[3-(2-methoxyethoxy)-5-pyridin-3-yloxy-2-pyridinyl]methyl]-1,3-thiazole?
The InChIKey is MEFGXYJOQGXKRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S/c1-21-6-7-22-16-9-14(23-13-3-2-4-18-11-13)12-20-15(16)10-17-19-5-8-24-17/h2-5,8-9,11-12H,6-7,10H2,1H3.
What are the key properties of 2-[[3-(2-methoxyethoxy)-5-pyridin-3-yloxy-2-pyridinyl]methyl]-1,3-thiazole?
2-[[3-(2-methoxyethoxy)-5-pyridin-3-yloxy-2-pyridinyl]methyl]-1,3-thiazole has a molecular weight of 343.41 g/mol, XLogP of 3.34, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2-methoxyethoxy)-5-pyridin-3-yloxy-2-pyridinyl]methyl]-1,3-thiazole is sourced from PubChem (CID 159541066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).