2-[3-[2-(6,7-dimethyl-4-phenoxyimidazo[4,5-c]pyridin-1-yl)ethoxy]propyl]-1,3-thiazole

C22H24N4O2S — CID 69225761

IUPAC2-[3-[2-(6,7-dimethyl-4-phenoxyimidazo[4,5-c]pyridin-1-yl)ethoxy]propyl]-1,3-thiazole
SMILESCc1nc(Oc2ccccc2)c2ncn(CCOCCCc3nccs3)c2c1C
InChIInChI=1S/C22H24N4O2S/c1-16-17(2)25-22(28-18-7-4-3-5-8-18)20-21(16)26(15-24-20)11-13-27-12-6-9-19-23-10-14-29-19/h3-5,7-8,10,14-15H,6,9,11-13H2,1-2H3
InChIKeyNZQDULJSRZAKJA-UHFFFAOYSA-N
MW408.53 g/mol
LogP4.95
Rot. Bonds9

About 2-[3-[2-(6,7-dimethyl-4-phenoxyimidazo[4,5-c]pyridin-1-yl)ethoxy]propyl]-1,3-thiazole

2-[3-[2-(6,7-dimethyl-4-phenoxyimidazo[4,5-c]pyridin-1-yl)ethoxy]propyl]-1,3-thiazole (PubChem CID 69225761) has the molecular formula C22H24N4O2S and a molecular weight of 408.53 g/mol. Its IUPAC name is 2-[3-[2-(6,7-dimethyl-4-phenoxyimidazo[4,5-c]pyridin-1-yl)ethoxy]propyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[3-[2-(6,7-dimethyl-4-phenoxyimidazo[4,5-c]pyridin-1-yl)ethoxy]propyl]-1,3-thiazole
PubChem CID69225761
Molecular FormulaC22H24N4O2S
Molecular Weight408.53 g/mol
Exact Mass408.16
IUPAC Name2-[3-[2-(6,7-dimethyl-4-phenoxyimidazo[4,5-c]pyridin-1-yl)ethoxy]propyl]-1,3-thiazole
SMILESCc1nc(Oc2ccccc2)c2ncn(CCOCCCc3nccs3)c2c1C
InChIInChI=1S/C22H24N4O2S/c1-16-17(2)25-22(28-18-7-4-3-5-8-18)20-21(16)26(15-24-20)11-13-27-12-6-9-19-23-10-14-29-19/h3-5,7-8,10,14-15H,6,9,11-13H2,1-2H3
InChIKeyNZQDULJSRZAKJA-UHFFFAOYSA-N
XLogP4.95
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.53
LogP ≤ 54.95
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-(6,7-dimethyl-4-phenoxyimidazo[4,5-c]pyridin-1-yl)ethoxy]propyl]-1,3-thiazole?
The IUPAC name of 2-[3-[2-(6,7-dimethyl-4-phenoxyimidazo[4,5-c]pyridin-1-yl)ethoxy]propyl]-1,3-thiazole (CID 69225761) is 2-[3-[2-(6,7-dimethyl-4-phenoxyimidazo[4,5-c]pyridin-1-yl)ethoxy]propyl]-1,3-thiazole.
What is the SMILES notation for 2-[3-[2-(6,7-dimethyl-4-phenoxyimidazo[4,5-c]pyridin-1-yl)ethoxy]propyl]-1,3-thiazole?
The canonical SMILES for 2-[3-[2-(6,7-dimethyl-4-phenoxyimidazo[4,5-c]pyridin-1-yl)ethoxy]propyl]-1,3-thiazole is Cc1nc(Oc2ccccc2)c2ncn(CCOCCCc3nccs3)c2c1C.
What is the InChIKey of 2-[3-[2-(6,7-dimethyl-4-phenoxyimidazo[4,5-c]pyridin-1-yl)ethoxy]propyl]-1,3-thiazole?
The InChIKey is NZQDULJSRZAKJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2S/c1-16-17(2)25-22(28-18-7-4-3-5-8-18)20-21(16)26(15-24-20)11-13-27-12-6-9-19-23-10-14-29-19/h3-5,7-8,10,14-15H,6,9,11-13H2,1-2H3.
What are the key properties of 2-[3-[2-(6,7-dimethyl-4-phenoxyimidazo[4,5-c]pyridin-1-yl)ethoxy]propyl]-1,3-thiazole?
2-[3-[2-(6,7-dimethyl-4-phenoxyimidazo[4,5-c]pyridin-1-yl)ethoxy]propyl]-1,3-thiazole has a molecular weight of 408.53 g/mol, XLogP of 4.95, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(6,7-dimethyl-4-phenoxyimidazo[4,5-c]pyridin-1-yl)ethoxy]propyl]-1,3-thiazole is sourced from PubChem (CID 69225761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).