2-[(2-hydroxyphenyl)diazenyl]-4-octadecyl-3-(1,3-thiazol-2-yl)phenol

C33H47N3O2S — CID 137224688

IUPAC2-[(2-hydroxyphenyl)diazenyl]-4-octadecyl-3-(1,3-thiazol-2-yl)phenol
SMILESCCCCCCCCCCCCCCCCCCc1ccc(O)c(/N=N/c2ccccc2O)c1-c1nccs1
InChIInChI=1S/C33H47N3O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-27-23-24-30(38)32(31(27)33-34-25-26-39-33)36-35-28-21-18-19-22-29(28)37/h18-19,21-26,37-38H,2-17,20H2,1H3/b36-35+
InChIKeyAMKDMSFHUXANJN-ULDVOPSXSA-N
MW549.83 g/mol
LogP11.44
Rot. Bonds20

About 2-[(2-hydroxyphenyl)diazenyl]-4-octadecyl-3-(1,3-thiazol-2-yl)phenol

2-[(2-hydroxyphenyl)diazenyl]-4-octadecyl-3-(1,3-thiazol-2-yl)phenol (PubChem CID 137224688) has the molecular formula C33H47N3O2S and a molecular weight of 549.83 g/mol. Its IUPAC name is 2-[(2-hydroxyphenyl)diazenyl]-4-octadecyl-3-(1,3-thiazol-2-yl)phenol.

Molecular Properties

Compound Name2-[(2-hydroxyphenyl)diazenyl]-4-octadecyl-3-(1,3-thiazol-2-yl)phenol
PubChem CID137224688
Molecular FormulaC33H47N3O2S
Molecular Weight549.83 g/mol
Exact Mass549.34
IUPAC Name2-[(2-hydroxyphenyl)diazenyl]-4-octadecyl-3-(1,3-thiazol-2-yl)phenol
SMILESCCCCCCCCCCCCCCCCCCc1ccc(O)c(/N=N/c2ccccc2O)c1-c1nccs1
InChIInChI=1S/C33H47N3O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-27-23-24-30(38)32(31(27)33-34-25-26-39-33)36-35-28-21-18-19-22-29(28)37/h18-19,21-26,37-38H,2-17,20H2,1H3/b36-35+
InChIKeyAMKDMSFHUXANJN-ULDVOPSXSA-N
XLogP11.44
TPSA78.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds20
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.83
LogP ≤ 511.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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Related Compounds

2-(2-pentyl-1H-indol-3-yl)-1,3-thiazole
CID 12066004
2-(2-butyl-6-methoxyphenyl)-1,3-thiazole
CID 132508297
2-dodecylphenol
CID 160834917
5-undecylquinolin-8-ol
CID 10780517
2-octylphenol;tungsten
CID 157237523
CID 158595082
CID 158595082
CID 69025009
CID 69025009
2-(2-dodecylphenyl)-3-nonylphenol
CID 174697962
4-heptyl-3-nonyl-2-phenylphenol
CID 66865847
3-decyl-4-pentyl-2-phenylphenol
CID 66867188
lithium;2-dodecylphenol;hydride
CID 174657819
ethene;2-nonylphenol
CID 66616289

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxyphenyl)diazenyl]-4-octadecyl-3-(1,3-thiazol-2-yl)phenol?
The IUPAC name of 2-[(2-hydroxyphenyl)diazenyl]-4-octadecyl-3-(1,3-thiazol-2-yl)phenol (CID 137224688) is 2-[(2-hydroxyphenyl)diazenyl]-4-octadecyl-3-(1,3-thiazol-2-yl)phenol.
What is the SMILES notation for 2-[(2-hydroxyphenyl)diazenyl]-4-octadecyl-3-(1,3-thiazol-2-yl)phenol?
The canonical SMILES for 2-[(2-hydroxyphenyl)diazenyl]-4-octadecyl-3-(1,3-thiazol-2-yl)phenol is CCCCCCCCCCCCCCCCCCc1ccc(O)c(/N=N/c2ccccc2O)c1-c1nccs1.
What is the InChIKey of 2-[(2-hydroxyphenyl)diazenyl]-4-octadecyl-3-(1,3-thiazol-2-yl)phenol?
The InChIKey is AMKDMSFHUXANJN-ULDVOPSXSA-N. The full InChI is InChI=1S/C33H47N3O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-27-23-24-30(38)32(31(27)33-34-25-26-39-33)36-35-28-21-18-19-22-29(28)37/h18-19,21-26,37-38H,2-17,20H2,1H3/b36-35+.
What are the key properties of 2-[(2-hydroxyphenyl)diazenyl]-4-octadecyl-3-(1,3-thiazol-2-yl)phenol?
2-[(2-hydroxyphenyl)diazenyl]-4-octadecyl-3-(1,3-thiazol-2-yl)phenol has a molecular weight of 549.83 g/mol, XLogP of 11.44, 20 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxyphenyl)diazenyl]-4-octadecyl-3-(1,3-thiazol-2-yl)phenol is sourced from PubChem (CID 137224688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).