5-(N-(2-phenyliminohydrazinyl)anilino)thieno[3,2-b]thiophene

C18H14N4S2 — CID 67633739

IUPAC5-(N-(2-phenyliminohydrazinyl)anilino)thieno[3,2-b]thiophene
SMILESc1ccc(/N=N/NN(c2ccccc2)c2cc3sccc3s2)cc1
InChIInChI=1S/C18H14N4S2/c1-3-7-14(8-4-1)19-20-21-22(15-9-5-2-6-10-15)18-13-17-16(24-18)11-12-23-17/h1-13H,(H,19,21)
InChIKeyHUQPLNWIJWNJRZ-UHFFFAOYSA-N
MW350.47 g/mol
LogP6.30
Rot. Bonds5

About 5-(N-(2-phenyliminohydrazinyl)anilino)thieno[3,2-b]thiophene

5-(N-(2-phenyliminohydrazinyl)anilino)thieno[3,2-b]thiophene (PubChem CID 67633739) has the molecular formula C18H14N4S2 and a molecular weight of 350.47 g/mol. Its IUPAC name is 5-(N-(2-phenyliminohydrazinyl)anilino)thieno[3,2-b]thiophene.

Molecular Properties

Compound Name5-(N-(2-phenyliminohydrazinyl)anilino)thieno[3,2-b]thiophene
PubChem CID67633739
Molecular FormulaC18H14N4S2
Molecular Weight350.47 g/mol
Exact Mass350.07
IUPAC Name5-(N-(2-phenyliminohydrazinyl)anilino)thieno[3,2-b]thiophene
SMILESc1ccc(/N=N/NN(c2ccccc2)c2cc3sccc3s2)cc1
InChIInChI=1S/C18H14N4S2/c1-3-7-14(8-4-1)19-20-21-22(15-9-5-2-6-10-15)18-13-17-16(24-18)11-12-23-17/h1-13H,(H,19,21)
InChIKeyHUQPLNWIJWNJRZ-UHFFFAOYSA-N
XLogP6.30
TPSA39.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.47
LogP ≤ 56.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-(N-(2-phenyliminohydrazinyl)anilino)thieno[3,2-b]thiophene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(N-(2-phenyliminohydrazinyl)anilino)thieno[3,2-b]thiophene?
The IUPAC name of 5-(N-(2-phenyliminohydrazinyl)anilino)thieno[3,2-b]thiophene (CID 67633739) is 5-(N-(2-phenyliminohydrazinyl)anilino)thieno[3,2-b]thiophene.
What is the SMILES notation for 5-(N-(2-phenyliminohydrazinyl)anilino)thieno[3,2-b]thiophene?
The canonical SMILES for 5-(N-(2-phenyliminohydrazinyl)anilino)thieno[3,2-b]thiophene is c1ccc(/N=N/NN(c2ccccc2)c2cc3sccc3s2)cc1.
What is the InChIKey of 5-(N-(2-phenyliminohydrazinyl)anilino)thieno[3,2-b]thiophene?
The InChIKey is HUQPLNWIJWNJRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4S2/c1-3-7-14(8-4-1)19-20-21-22(15-9-5-2-6-10-15)18-13-17-16(24-18)11-12-23-17/h1-13H,(H,19,21).
What are the key properties of 5-(N-(2-phenyliminohydrazinyl)anilino)thieno[3,2-b]thiophene?
5-(N-(2-phenyliminohydrazinyl)anilino)thieno[3,2-b]thiophene has a molecular weight of 350.47 g/mol, XLogP of 6.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(N-(2-phenyliminohydrazinyl)anilino)thieno[3,2-b]thiophene is sourced from PubChem (CID 67633739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).