2-[2-[2-[2-[2-[4-[(5-chloro-1,3-thiazol-2-yl)diazenyl]anilino]ethoxy]ethoxy]ethoxy]ethoxy]ethanol

C19H27ClN4O5S — CID 166509657

IUPAC2-[2-[2-[2-[2-[4-[(5-chloro-1,3-thiazol-2-yl)diazenyl]anilino]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
SMILESOCCOCCOCCOCCOCCNc1ccc(/N=N/c2ncc(Cl)s2)cc1
InChIInChI=1S/C19H27ClN4O5S/c20-18-15-22-19(30-18)24-23-17-3-1-16(2-4-17)21-5-7-26-9-11-28-13-14-29-12-10-27-8-6-25/h1-4,15,21,25H,5-14H2/b24-23+
InChIKeyIRVOKJLYPDREGI-WCWDXBQESA-N
MW458.97 g/mol
LogP3.68
Rot. Bonds17

About 2-[2-[2-[2-[2-[4-[(5-chloro-1,3-thiazol-2-yl)diazenyl]anilino]ethoxy]ethoxy]ethoxy]ethoxy]ethanol

2-[2-[2-[2-[2-[4-[(5-chloro-1,3-thiazol-2-yl)diazenyl]anilino]ethoxy]ethoxy]ethoxy]ethoxy]ethanol (PubChem CID 166509657) has the molecular formula C19H27ClN4O5S and a molecular weight of 458.97 g/mol. Its IUPAC name is 2-[2-[2-[2-[2-[4-[(5-chloro-1,3-thiazol-2-yl)diazenyl]anilino]ethoxy]ethoxy]ethoxy]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[2-[2-[2-[4-[(5-chloro-1,3-thiazol-2-yl)diazenyl]anilino]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
PubChem CID166509657
Molecular FormulaC19H27ClN4O5S
Molecular Weight458.97 g/mol
Exact Mass458.14
IUPAC Name2-[2-[2-[2-[2-[4-[(5-chloro-1,3-thiazol-2-yl)diazenyl]anilino]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
SMILESOCCOCCOCCOCCOCCNc1ccc(/N=N/c2ncc(Cl)s2)cc1
InChIInChI=1S/C19H27ClN4O5S/c20-18-15-22-19(30-18)24-23-17-3-1-16(2-4-17)21-5-7-26-9-11-28-13-14-29-12-10-27-8-6-25/h1-4,15,21,25H,5-14H2/b24-23+
InChIKeyIRVOKJLYPDREGI-WCWDXBQESA-N
XLogP3.68
TPSA106.79 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds17
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.97
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[2-[4-[(5-chloro-1,3-thiazol-2-yl)diazenyl]anilino]ethoxy]ethoxy]ethoxy]ethoxy]ethanol?
The IUPAC name of 2-[2-[2-[2-[2-[4-[(5-chloro-1,3-thiazol-2-yl)diazenyl]anilino]ethoxy]ethoxy]ethoxy]ethoxy]ethanol (CID 166509657) is 2-[2-[2-[2-[2-[4-[(5-chloro-1,3-thiazol-2-yl)diazenyl]anilino]ethoxy]ethoxy]ethoxy]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[2-[2-[2-[4-[(5-chloro-1,3-thiazol-2-yl)diazenyl]anilino]ethoxy]ethoxy]ethoxy]ethoxy]ethanol?
The canonical SMILES for 2-[2-[2-[2-[2-[4-[(5-chloro-1,3-thiazol-2-yl)diazenyl]anilino]ethoxy]ethoxy]ethoxy]ethoxy]ethanol is OCCOCCOCCOCCOCCNc1ccc(/N=N/c2ncc(Cl)s2)cc1.
What is the InChIKey of 2-[2-[2-[2-[2-[4-[(5-chloro-1,3-thiazol-2-yl)diazenyl]anilino]ethoxy]ethoxy]ethoxy]ethoxy]ethanol?
The InChIKey is IRVOKJLYPDREGI-WCWDXBQESA-N. The full InChI is InChI=1S/C19H27ClN4O5S/c20-18-15-22-19(30-18)24-23-17-3-1-16(2-4-17)21-5-7-26-9-11-28-13-14-29-12-10-27-8-6-25/h1-4,15,21,25H,5-14H2/b24-23+.
What are the key properties of 2-[2-[2-[2-[2-[4-[(5-chloro-1,3-thiazol-2-yl)diazenyl]anilino]ethoxy]ethoxy]ethoxy]ethoxy]ethanol?
2-[2-[2-[2-[2-[4-[(5-chloro-1,3-thiazol-2-yl)diazenyl]anilino]ethoxy]ethoxy]ethoxy]ethoxy]ethanol has a molecular weight of 458.97 g/mol, XLogP of 3.68, 17 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-[2-[4-[(5-chloro-1,3-thiazol-2-yl)diazenyl]anilino]ethoxy]ethoxy]ethoxy]ethoxy]ethanol is sourced from PubChem (CID 166509657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).