2-(2-hydroxyphenyl)-N-[2-[2-[2-[[2-(2-hydroxyphenyl)-1,3-thiazole-4-carbothioyl]amino]ethoxy]ethoxy]ethyl]-1,3-thiazole-4-carbothioamide

C26H26N4O4S4 — CID 135869466

IUPAC2-(2-hydroxyphenyl)-N-[2-[2-[2-[[2-(2-hydroxyphenyl)-1,3-thiazole-4-carbothioyl]amino]ethoxy]ethoxy]ethyl]-1,3-thiazole-4-carbothioamide
SMILESOc1ccccc1-c1nc(C(=S)NCCOCCOCCNC(=S)c2csc(-c3ccccc3O)n2)cs1
InChIInChI=1S/C26H26N4O4S4/c31-21-7-3-1-5-17(21)25-29-19(15-37-25)23(35)27-9-11-33-13-14-34-12-10-28-24(36)20-16-38-26(30-20)18-6-2-4-8-22(18)32/h1-8,15-16,31-32H,9-14H2,(H,27,35)(H,28,36)
InChIKeyGAAVIEINXXYEPX-UHFFFAOYSA-N
MW586.79 g/mol
LogP4.61
Rot. Bonds13

About 2-(2-hydroxyphenyl)-N-[2-[2-[2-[[2-(2-hydroxyphenyl)-1,3-thiazole-4-carbothioyl]amino]ethoxy]ethoxy]ethyl]-1,3-thiazole-4-carbothioamide

2-(2-hydroxyphenyl)-N-[2-[2-[2-[[2-(2-hydroxyphenyl)-1,3-thiazole-4-carbothioyl]amino]ethoxy]ethoxy]ethyl]-1,3-thiazole-4-carbothioamide (PubChem CID 135869466) has the molecular formula C26H26N4O4S4 and a molecular weight of 586.79 g/mol. Its IUPAC name is 2-(2-hydroxyphenyl)-N-[2-[2-[2-[[2-(2-hydroxyphenyl)-1,3-thiazole-4-carbothioyl]amino]ethoxy]ethoxy]ethyl]-1,3-thiazole-4-carbothioamide.

Molecular Properties

Compound Name2-(2-hydroxyphenyl)-N-[2-[2-[2-[[2-(2-hydroxyphenyl)-1,3-thiazole-4-carbothioyl]amino]ethoxy]ethoxy]ethyl]-1,3-thiazole-4-carbothioamide
PubChem CID135869466
Molecular FormulaC26H26N4O4S4
Molecular Weight586.79 g/mol
Exact Mass586.08
IUPAC Name2-(2-hydroxyphenyl)-N-[2-[2-[2-[[2-(2-hydroxyphenyl)-1,3-thiazole-4-carbothioyl]amino]ethoxy]ethoxy]ethyl]-1,3-thiazole-4-carbothioamide
SMILESOc1ccccc1-c1nc(C(=S)NCCOCCOCCNC(=S)c2csc(-c3ccccc3O)n2)cs1
InChIInChI=1S/C26H26N4O4S4/c31-21-7-3-1-5-17(21)25-29-19(15-37-25)23(35)27-9-11-33-13-14-34-12-10-28-24(36)20-16-38-26(30-20)18-6-2-4-8-22(18)32/h1-8,15-16,31-32H,9-14H2,(H,27,35)(H,28,36)
InChIKeyGAAVIEINXXYEPX-UHFFFAOYSA-N
XLogP4.61
TPSA108.76 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds13
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500586.79
LogP ≤ 54.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyphenyl)-N-[2-[2-[2-[[2-(2-hydroxyphenyl)-1,3-thiazole-4-carbothioyl]amino]ethoxy]ethoxy]ethyl]-1,3-thiazole-4-carbothioamide?
The IUPAC name of 2-(2-hydroxyphenyl)-N-[2-[2-[2-[[2-(2-hydroxyphenyl)-1,3-thiazole-4-carbothioyl]amino]ethoxy]ethoxy]ethyl]-1,3-thiazole-4-carbothioamide (CID 135869466) is 2-(2-hydroxyphenyl)-N-[2-[2-[2-[[2-(2-hydroxyphenyl)-1,3-thiazole-4-carbothioyl]amino]ethoxy]ethoxy]ethyl]-1,3-thiazole-4-carbothioamide.
What is the SMILES notation for 2-(2-hydroxyphenyl)-N-[2-[2-[2-[[2-(2-hydroxyphenyl)-1,3-thiazole-4-carbothioyl]amino]ethoxy]ethoxy]ethyl]-1,3-thiazole-4-carbothioamide?
The canonical SMILES for 2-(2-hydroxyphenyl)-N-[2-[2-[2-[[2-(2-hydroxyphenyl)-1,3-thiazole-4-carbothioyl]amino]ethoxy]ethoxy]ethyl]-1,3-thiazole-4-carbothioamide is Oc1ccccc1-c1nc(C(=S)NCCOCCOCCNC(=S)c2csc(-c3ccccc3O)n2)cs1.
What is the InChIKey of 2-(2-hydroxyphenyl)-N-[2-[2-[2-[[2-(2-hydroxyphenyl)-1,3-thiazole-4-carbothioyl]amino]ethoxy]ethoxy]ethyl]-1,3-thiazole-4-carbothioamide?
The InChIKey is GAAVIEINXXYEPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O4S4/c31-21-7-3-1-5-17(21)25-29-19(15-37-25)23(35)27-9-11-33-13-14-34-12-10-28-24(36)20-16-38-26(30-20)18-6-2-4-8-22(18)32/h1-8,15-16,31-32H,9-14H2,(H,27,35)(H,28,36).
What are the key properties of 2-(2-hydroxyphenyl)-N-[2-[2-[2-[[2-(2-hydroxyphenyl)-1,3-thiazole-4-carbothioyl]amino]ethoxy]ethoxy]ethyl]-1,3-thiazole-4-carbothioamide?
2-(2-hydroxyphenyl)-N-[2-[2-[2-[[2-(2-hydroxyphenyl)-1,3-thiazole-4-carbothioyl]amino]ethoxy]ethoxy]ethyl]-1,3-thiazole-4-carbothioamide has a molecular weight of 586.79 g/mol, XLogP of 4.61, 13 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyphenyl)-N-[2-[2-[2-[[2-(2-hydroxyphenyl)-1,3-thiazole-4-carbothioyl]amino]ethoxy]ethoxy]ethyl]-1,3-thiazole-4-carbothioamide is sourced from PubChem (CID 135869466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).