8-amino-5-[[5-[2-[(4-amino-5-hydroxynaphthalen-1-yl)diazenyl]-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]diazenyl]naphthalen-1-ol

C26H18N8O2S2 — CID 139387306

IUPAC8-amino-5-[[5-[2-[(4-amino-5-hydroxynaphthalen-1-yl)diazenyl]-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]diazenyl]naphthalen-1-ol
SMILESNc1ccc(/N=N/c2ncc(-c3cnc(/N=N/c4ccc(N)c5c(O)cccc45)s3)s2)c2cccc(O)c12
InChIInChI=1S/C26H18N8O2S2/c27-15-7-9-17(13-3-1-5-19(35)23(13)15)31-33-25-29-11-21(37-25)22-12-30-26(38-22)34-32-18-10-8-16(28)24-14(18)4-2-6-20(24)36/h1-12,35-36H,27-28H2/b33-31+,34-32+
InChIKeyWQNRXPJSXWTQJB-FMWAKIAMSA-N
MW538.62 g/mol
LogP7.98
Rot. Bonds5

About 8-amino-5-[[5-[2-[(4-amino-5-hydroxynaphthalen-1-yl)diazenyl]-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]diazenyl]naphthalen-1-ol

8-amino-5-[[5-[2-[(4-amino-5-hydroxynaphthalen-1-yl)diazenyl]-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]diazenyl]naphthalen-1-ol (PubChem CID 139387306) has the molecular formula C26H18N8O2S2 and a molecular weight of 538.62 g/mol. Its IUPAC name is 8-amino-5-[[5-[2-[(4-amino-5-hydroxynaphthalen-1-yl)diazenyl]-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]diazenyl]naphthalen-1-ol.

Molecular Properties

Compound Name8-amino-5-[[5-[2-[(4-amino-5-hydroxynaphthalen-1-yl)diazenyl]-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]diazenyl]naphthalen-1-ol
PubChem CID139387306
Molecular FormulaC26H18N8O2S2
Molecular Weight538.62 g/mol
Exact Mass538.10
IUPAC Name8-amino-5-[[5-[2-[(4-amino-5-hydroxynaphthalen-1-yl)diazenyl]-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]diazenyl]naphthalen-1-ol
SMILESNc1ccc(/N=N/c2ncc(-c3cnc(/N=N/c4ccc(N)c5c(O)cccc45)s3)s2)c2cccc(O)c12
InChIInChI=1S/C26H18N8O2S2/c27-15-7-9-17(13-3-1-5-19(35)23(13)15)31-33-25-29-11-21(37-25)22-12-30-26(38-22)34-32-18-10-8-16(28)24-14(18)4-2-6-20(24)36/h1-12,35-36H,27-28H2/b33-31+,34-32+
InChIKeyWQNRXPJSXWTQJB-FMWAKIAMSA-N
XLogP7.98
TPSA167.72 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500538.62
LogP ≤ 57.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-amino-5-[[5-[2-[(4-amino-5-hydroxynaphthalen-1-yl)diazenyl]-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]diazenyl]naphthalen-1-ol?
The IUPAC name of 8-amino-5-[[5-[2-[(4-amino-5-hydroxynaphthalen-1-yl)diazenyl]-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]diazenyl]naphthalen-1-ol (CID 139387306) is 8-amino-5-[[5-[2-[(4-amino-5-hydroxynaphthalen-1-yl)diazenyl]-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]diazenyl]naphthalen-1-ol.
What is the SMILES notation for 8-amino-5-[[5-[2-[(4-amino-5-hydroxynaphthalen-1-yl)diazenyl]-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]diazenyl]naphthalen-1-ol?
The canonical SMILES for 8-amino-5-[[5-[2-[(4-amino-5-hydroxynaphthalen-1-yl)diazenyl]-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]diazenyl]naphthalen-1-ol is Nc1ccc(/N=N/c2ncc(-c3cnc(/N=N/c4ccc(N)c5c(O)cccc45)s3)s2)c2cccc(O)c12.
What is the InChIKey of 8-amino-5-[[5-[2-[(4-amino-5-hydroxynaphthalen-1-yl)diazenyl]-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]diazenyl]naphthalen-1-ol?
The InChIKey is WQNRXPJSXWTQJB-FMWAKIAMSA-N. The full InChI is InChI=1S/C26H18N8O2S2/c27-15-7-9-17(13-3-1-5-19(35)23(13)15)31-33-25-29-11-21(37-25)22-12-30-26(38-22)34-32-18-10-8-16(28)24-14(18)4-2-6-20(24)36/h1-12,35-36H,27-28H2/b33-31+,34-32+.
What are the key properties of 8-amino-5-[[5-[2-[(4-amino-5-hydroxynaphthalen-1-yl)diazenyl]-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]diazenyl]naphthalen-1-ol?
8-amino-5-[[5-[2-[(4-amino-5-hydroxynaphthalen-1-yl)diazenyl]-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]diazenyl]naphthalen-1-ol has a molecular weight of 538.62 g/mol, XLogP of 7.98, 5 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-5-[[5-[2-[(4-amino-5-hydroxynaphthalen-1-yl)diazenyl]-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]diazenyl]naphthalen-1-ol is sourced from PubChem (CID 139387306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).