2-[2-[2-[2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethoxy]ethoxy]ethoxy]ethanol

C18H25NO4S — CID 167256669

IUPAC2-[2-[2-[2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethoxy]ethoxy]ethoxy]ethanol
SMILESCc1ncsc1-c1ccc(CCOCCOCCOCCO)cc1
InChIInChI=1S/C18H25NO4S/c1-15-18(24-14-19-15)17-4-2-16(3-5-17)6-8-21-10-12-23-13-11-22-9-7-20/h2-5,14,20H,6-13H2,1H3
InChIKeyIQAXSRVKOAGDHL-UHFFFAOYSA-N
MW351.47 g/mol
LogP2.70
Rot. Bonds12

About 2-[2-[2-[2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethoxy]ethoxy]ethoxy]ethanol

2-[2-[2-[2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethoxy]ethoxy]ethoxy]ethanol (PubChem CID 167256669) has the molecular formula C18H25NO4S and a molecular weight of 351.47 g/mol. Its IUPAC name is 2-[2-[2-[2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethoxy]ethoxy]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[2-[2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethoxy]ethoxy]ethoxy]ethanol
PubChem CID167256669
Molecular FormulaC18H25NO4S
Molecular Weight351.47 g/mol
Exact Mass351.15
IUPAC Name2-[2-[2-[2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethoxy]ethoxy]ethoxy]ethanol
SMILESCc1ncsc1-c1ccc(CCOCCOCCOCCO)cc1
InChIInChI=1S/C18H25NO4S/c1-15-18(24-14-19-15)17-4-2-16(3-5-17)6-8-21-10-12-23-13-11-22-9-7-20/h2-5,14,20H,6-13H2,1H3
InChIKeyIQAXSRVKOAGDHL-UHFFFAOYSA-N
XLogP2.70
TPSA60.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 52.70
H-Bond Donors ≤ 51
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 2-[2-[2-[2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethoxy]ethoxy]ethoxy]ethanol?
The IUPAC name of 2-[2-[2-[2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethoxy]ethoxy]ethoxy]ethanol (CID 167256669) is 2-[2-[2-[2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethoxy]ethoxy]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[2-[2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethoxy]ethoxy]ethoxy]ethanol?
The canonical SMILES for 2-[2-[2-[2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethoxy]ethoxy]ethoxy]ethanol is Cc1ncsc1-c1ccc(CCOCCOCCOCCO)cc1.
What is the InChIKey of 2-[2-[2-[2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethoxy]ethoxy]ethoxy]ethanol?
The InChIKey is IQAXSRVKOAGDHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO4S/c1-15-18(24-14-19-15)17-4-2-16(3-5-17)6-8-21-10-12-23-13-11-22-9-7-20/h2-5,14,20H,6-13H2,1H3.
What are the key properties of 2-[2-[2-[2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethoxy]ethoxy]ethoxy]ethanol?
2-[2-[2-[2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethoxy]ethoxy]ethoxy]ethanol has a molecular weight of 351.47 g/mol, XLogP of 2.70, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethoxy]ethoxy]ethoxy]ethanol is sourced from PubChem (CID 167256669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).