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

C25H27N5OS2 — CID 86111506

IUPAC(4-butoxyphenyl)-[4-[(5-butylthieno[2,3-d][1,3]thiazol-2-yl)diazenyl]phenyl]diazene
SMILESCCCCOc1ccc(/N=N/c2ccc(/N=N/c3nc4sc(CCCC)cc4s3)cc2)cc1
InChIInChI=1S/C25H27N5OS2/c1-3-5-7-22-17-23-24(32-22)26-25(33-23)30-29-19-10-8-18(9-11-19)27-28-20-12-14-21(15-13-20)31-16-6-4-2/h8-15,17H,3-7,16H2,1-2H3/b28-27+,30-29+
InChIKeyBEJAUVCYWDNOHF-XOXGWFOHSA-N
MW477.66 g/mol
LogP9.71
Rot. Bonds11

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

(4-butoxyphenyl)-[4-[(5-butylthieno[2,3-d][1,3]thiazol-2-yl)diazenyl]phenyl]diazene (PubChem CID 86111506) has the molecular formula C25H27N5OS2 and a molecular weight of 477.66 g/mol. Its IUPAC name is (4-butoxyphenyl)-[4-[(5-butylthieno[2,3-d][1,3]thiazol-2-yl)diazenyl]phenyl]diazene.

Molecular Properties

Compound Name(4-butoxyphenyl)-[4-[(5-butylthieno[2,3-d][1,3]thiazol-2-yl)diazenyl]phenyl]diazene
PubChem CID86111506
Molecular FormulaC25H27N5OS2
Molecular Weight477.66 g/mol
Exact Mass477.17
IUPAC Name(4-butoxyphenyl)-[4-[(5-butylthieno[2,3-d][1,3]thiazol-2-yl)diazenyl]phenyl]diazene
SMILESCCCCOc1ccc(/N=N/c2ccc(/N=N/c3nc4sc(CCCC)cc4s3)cc2)cc1
InChIInChI=1S/C25H27N5OS2/c1-3-5-7-22-17-23-24(32-22)26-25(33-23)30-29-19-10-8-18(9-11-19)27-28-20-12-14-21(15-13-20)31-16-6-4-2/h8-15,17H,3-7,16H2,1-2H3/b28-27+,30-29+
InChIKeyBEJAUVCYWDNOHF-XOXGWFOHSA-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)-[4-[(5-butylthieno[2,3-d][1,3]thiazol-2-yl)diazenyl]phenyl]diazene?
The IUPAC name of (4-butoxyphenyl)-[4-[(5-butylthieno[2,3-d][1,3]thiazol-2-yl)diazenyl]phenyl]diazene (CID 86111506) is (4-butoxyphenyl)-[4-[(5-butylthieno[2,3-d][1,3]thiazol-2-yl)diazenyl]phenyl]diazene.
What is the SMILES notation for (4-butoxyphenyl)-[4-[(5-butylthieno[2,3-d][1,3]thiazol-2-yl)diazenyl]phenyl]diazene?
The canonical SMILES for (4-butoxyphenyl)-[4-[(5-butylthieno[2,3-d][1,3]thiazol-2-yl)diazenyl]phenyl]diazene is CCCCOc1ccc(/N=N/c2ccc(/N=N/c3nc4sc(CCCC)cc4s3)cc2)cc1.
What is the InChIKey of (4-butoxyphenyl)-[4-[(5-butylthieno[2,3-d][1,3]thiazol-2-yl)diazenyl]phenyl]diazene?
The InChIKey is BEJAUVCYWDNOHF-XOXGWFOHSA-N. The full InChI is InChI=1S/C25H27N5OS2/c1-3-5-7-22-17-23-24(32-22)26-25(33-23)30-29-19-10-8-18(9-11-19)27-28-20-12-14-21(15-13-20)31-16-6-4-2/h8-15,17H,3-7,16H2,1-2H3/b28-27+,30-29+.
What are the key properties of (4-butoxyphenyl)-[4-[(5-butylthieno[2,3-d][1,3]thiazol-2-yl)diazenyl]phenyl]diazene?
(4-butoxyphenyl)-[4-[(5-butylthieno[2,3-d][1,3]thiazol-2-yl)diazenyl]phenyl]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)-[4-[(5-butylthieno[2,3-d][1,3]thiazol-2-yl)diazenyl]phenyl]diazene is sourced from PubChem (CID 86111506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).