4-[[5-[(4-butyl-3-fluorophenyl)diazenyl]thieno[2,3-d][1,3]thiazol-2-yl]diazenyl]-N,N-diethylaniline

C25H27FN6S2 — CID 171415064

IUPAC4-[[5-[(4-butyl-3-fluorophenyl)diazenyl]thieno[2,3-d][1,3]thiazol-2-yl]diazenyl]-N,N-diethylaniline
SMILESCCCCc1ccc(/N=N/c2cc3sc(/N=N/c4ccc(N(CC)CC)cc4)nc3s2)cc1F
InChIInChI=1S/C25H27FN6S2/c1-4-7-8-17-9-10-19(15-21(17)26)29-30-23-16-22-24(34-23)27-25(33-22)31-28-18-11-13-20(14-12-18)32(5-2)6-3/h9-16H,4-8H2,1-3H3/b30-29+,31-28+
InChIKeyHFSUYIYSNVVONP-JZXBUVORSA-N
MW494.67 g/mol
LogP9.52
Rot. Bonds10

About 4-[[5-[(4-butyl-3-fluorophenyl)diazenyl]thieno[2,3-d][1,3]thiazol-2-yl]diazenyl]-N,N-diethylaniline

4-[[5-[(4-butyl-3-fluorophenyl)diazenyl]thieno[2,3-d][1,3]thiazol-2-yl]diazenyl]-N,N-diethylaniline (PubChem CID 171415064) has the molecular formula C25H27FN6S2 and a molecular weight of 494.67 g/mol. Its IUPAC name is 4-[[5-[(4-butyl-3-fluorophenyl)diazenyl]thieno[2,3-d][1,3]thiazol-2-yl]diazenyl]-N,N-diethylaniline.

Molecular Properties

Compound Name4-[[5-[(4-butyl-3-fluorophenyl)diazenyl]thieno[2,3-d][1,3]thiazol-2-yl]diazenyl]-N,N-diethylaniline
PubChem CID171415064
Molecular FormulaC25H27FN6S2
Molecular Weight494.67 g/mol
Exact Mass494.17
IUPAC Name4-[[5-[(4-butyl-3-fluorophenyl)diazenyl]thieno[2,3-d][1,3]thiazol-2-yl]diazenyl]-N,N-diethylaniline
SMILESCCCCc1ccc(/N=N/c2cc3sc(/N=N/c4ccc(N(CC)CC)cc4)nc3s2)cc1F
InChIInChI=1S/C25H27FN6S2/c1-4-7-8-17-9-10-19(15-21(17)26)29-30-23-16-22-24(34-23)27-25(33-22)31-28-18-11-13-20(14-12-18)32(5-2)6-3/h9-16H,4-8H2,1-3H3/b30-29+,31-28+
InChIKeyHFSUYIYSNVVONP-JZXBUVORSA-N
XLogP9.52
TPSA65.57 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.67
LogP ≤ 59.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-[(4-butyl-3-fluorophenyl)diazenyl]thieno[2,3-d][1,3]thiazol-2-yl]diazenyl]-N,N-diethylaniline?
The IUPAC name of 4-[[5-[(4-butyl-3-fluorophenyl)diazenyl]thieno[2,3-d][1,3]thiazol-2-yl]diazenyl]-N,N-diethylaniline (CID 171415064) is 4-[[5-[(4-butyl-3-fluorophenyl)diazenyl]thieno[2,3-d][1,3]thiazol-2-yl]diazenyl]-N,N-diethylaniline.
What is the SMILES notation for 4-[[5-[(4-butyl-3-fluorophenyl)diazenyl]thieno[2,3-d][1,3]thiazol-2-yl]diazenyl]-N,N-diethylaniline?
The canonical SMILES for 4-[[5-[(4-butyl-3-fluorophenyl)diazenyl]thieno[2,3-d][1,3]thiazol-2-yl]diazenyl]-N,N-diethylaniline is CCCCc1ccc(/N=N/c2cc3sc(/N=N/c4ccc(N(CC)CC)cc4)nc3s2)cc1F.
What is the InChIKey of 4-[[5-[(4-butyl-3-fluorophenyl)diazenyl]thieno[2,3-d][1,3]thiazol-2-yl]diazenyl]-N,N-diethylaniline?
The InChIKey is HFSUYIYSNVVONP-JZXBUVORSA-N. The full InChI is InChI=1S/C25H27FN6S2/c1-4-7-8-17-9-10-19(15-21(17)26)29-30-23-16-22-24(34-23)27-25(33-22)31-28-18-11-13-20(14-12-18)32(5-2)6-3/h9-16H,4-8H2,1-3H3/b30-29+,31-28+.
What are the key properties of 4-[[5-[(4-butyl-3-fluorophenyl)diazenyl]thieno[2,3-d][1,3]thiazol-2-yl]diazenyl]-N,N-diethylaniline?
4-[[5-[(4-butyl-3-fluorophenyl)diazenyl]thieno[2,3-d][1,3]thiazol-2-yl]diazenyl]-N,N-diethylaniline has a molecular weight of 494.67 g/mol, XLogP of 9.52, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-[(4-butyl-3-fluorophenyl)diazenyl]thieno[2,3-d][1,3]thiazol-2-yl]diazenyl]-N,N-diethylaniline is sourced from PubChem (CID 171415064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).