(4-butoxyphenyl)-[5-[(4-butylphenyl)diazenyl]thieno[2,3-d][1,3]thiazol-2-yl]diazene

C25H27N5OS2 — CID 126491958

IUPAC(4-butoxyphenyl)-[5-[(4-butylphenyl)diazenyl]thieno[2,3-d][1,3]thiazol-2-yl]diazene
SMILESCCCCOc1ccc(/N=N/c2nc3sc(/N=N/c4ccc(CCCC)cc4)cc3s2)cc1
InChIInChI=1S/C25H27N5OS2/c1-3-5-7-18-8-10-19(11-9-18)27-29-23-17-22-24(33-23)26-25(32-22)30-28-20-12-14-21(15-13-20)31-16-6-4-2/h8-15,17H,3-7,16H2,1-2H3/b29-27+,30-28+
InChIKeyMAFFUELCIGPPLF-QAVVBOBSSA-N
MW477.66 g/mol
LogP9.71
Rot. Bonds11

About (4-butoxyphenyl)-[5-[(4-butylphenyl)diazenyl]thieno[2,3-d][1,3]thiazol-2-yl]diazene

(4-butoxyphenyl)-[5-[(4-butylphenyl)diazenyl]thieno[2,3-d][1,3]thiazol-2-yl]diazene (PubChem CID 126491958) has the molecular formula C25H27N5OS2 and a molecular weight of 477.66 g/mol. Its IUPAC name is (4-butoxyphenyl)-[5-[(4-butylphenyl)diazenyl]thieno[2,3-d][1,3]thiazol-2-yl]diazene.

Molecular Properties

Compound Name(4-butoxyphenyl)-[5-[(4-butylphenyl)diazenyl]thieno[2,3-d][1,3]thiazol-2-yl]diazene
PubChem CID126491958
Molecular FormulaC25H27N5OS2
Molecular Weight477.66 g/mol
Exact Mass477.17
IUPAC Name(4-butoxyphenyl)-[5-[(4-butylphenyl)diazenyl]thieno[2,3-d][1,3]thiazol-2-yl]diazene
SMILESCCCCOc1ccc(/N=N/c2nc3sc(/N=N/c4ccc(CCCC)cc4)cc3s2)cc1
InChIInChI=1S/C25H27N5OS2/c1-3-5-7-18-8-10-19(11-9-18)27-29-23-17-22-24(33-23)26-25(32-22)30-28-20-12-14-21(15-13-20)31-16-6-4-2/h8-15,17H,3-7,16H2,1-2H3/b29-27+,30-28+
InChIKeyMAFFUELCIGPPLF-QAVVBOBSSA-N
XLogP9.71
TPSA71.56 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.66
LogP ≤ 59.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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 (4-butoxyphenyl)-[5-[(4-butylphenyl)diazenyl]thieno[2,3-d][1,3]thiazol-2-yl]diazene?
The IUPAC name of (4-butoxyphenyl)-[5-[(4-butylphenyl)diazenyl]thieno[2,3-d][1,3]thiazol-2-yl]diazene (CID 126491958) is (4-butoxyphenyl)-[5-[(4-butylphenyl)diazenyl]thieno[2,3-d][1,3]thiazol-2-yl]diazene.
What is the SMILES notation for (4-butoxyphenyl)-[5-[(4-butylphenyl)diazenyl]thieno[2,3-d][1,3]thiazol-2-yl]diazene?
The canonical SMILES for (4-butoxyphenyl)-[5-[(4-butylphenyl)diazenyl]thieno[2,3-d][1,3]thiazol-2-yl]diazene is CCCCOc1ccc(/N=N/c2nc3sc(/N=N/c4ccc(CCCC)cc4)cc3s2)cc1.
What is the InChIKey of (4-butoxyphenyl)-[5-[(4-butylphenyl)diazenyl]thieno[2,3-d][1,3]thiazol-2-yl]diazene?
The InChIKey is MAFFUELCIGPPLF-QAVVBOBSSA-N. The full InChI is InChI=1S/C25H27N5OS2/c1-3-5-7-18-8-10-19(11-9-18)27-29-23-17-22-24(33-23)26-25(32-22)30-28-20-12-14-21(15-13-20)31-16-6-4-2/h8-15,17H,3-7,16H2,1-2H3/b29-27+,30-28+.
What are the key properties of (4-butoxyphenyl)-[5-[(4-butylphenyl)diazenyl]thieno[2,3-d][1,3]thiazol-2-yl]diazene?
(4-butoxyphenyl)-[5-[(4-butylphenyl)diazenyl]thieno[2,3-d][1,3]thiazol-2-yl]diazene has a molecular weight of 477.66 g/mol, XLogP of 9.71, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butoxyphenyl)-[5-[(4-butylphenyl)diazenyl]thieno[2,3-d][1,3]thiazol-2-yl]diazene is sourced from PubChem (CID 126491958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).