1-[(1Z)-buta-1,3-dienyl]-2-ethyl-5,6-dihydro-[1,3]thiazolo[3,2-a]benzimidazole

C15H16N2S — CID 134409520

IUPAC1-[(1Z)-buta-1,3-dienyl]-2-ethyl-5,6-dihydro-[1,3]thiazolo[3,2-a]benzimidazole
SMILESC=C/C=C\c1c(CC)sc2nc3c(n12)C=CCC3
InChIInChI=1S/C15H16N2S/c1-3-5-9-13-14(4-2)18-15-16-11-8-6-7-10-12(11)17(13)15/h3,5,7,9-10H,1,4,6,8H2,2H3/b9-5-
InChIKeyNQMUPZSXKITCOB-UITAMQMPSA-N
MW256.37 g/mol
LogP4.12
Rot. Bonds3

About 1-[(1Z)-buta-1,3-dienyl]-2-ethyl-5,6-dihydro-[1,3]thiazolo[3,2-a]benzimidazole

1-[(1Z)-buta-1,3-dienyl]-2-ethyl-5,6-dihydro-[1,3]thiazolo[3,2-a]benzimidazole (PubChem CID 134409520) has the molecular formula C15H16N2S and a molecular weight of 256.37 g/mol. Its IUPAC name is 1-[(1Z)-buta-1,3-dienyl]-2-ethyl-5,6-dihydro-[1,3]thiazolo[3,2-a]benzimidazole.

Molecular Properties

Compound Name1-[(1Z)-buta-1,3-dienyl]-2-ethyl-5,6-dihydro-[1,3]thiazolo[3,2-a]benzimidazole
PubChem CID134409520
Molecular FormulaC15H16N2S
Molecular Weight256.37 g/mol
Exact Mass256.10
IUPAC Name1-[(1Z)-buta-1,3-dienyl]-2-ethyl-5,6-dihydro-[1,3]thiazolo[3,2-a]benzimidazole
SMILESC=C/C=C\c1c(CC)sc2nc3c(n12)C=CCC3
InChIInChI=1S/C15H16N2S/c1-3-5-9-13-14(4-2)18-15-16-11-8-6-7-10-12(11)17(13)15/h3,5,7,9-10H,1,4,6,8H2,2H3/b9-5-
InChIKeyNQMUPZSXKITCOB-UITAMQMPSA-N
XLogP4.12
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 1-[(1Z)-buta-1,3-dienyl]-2-ethyl-5,6-dihydro-[1,3]thiazolo[3,2-a]benzimidazole 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 1-[(1Z)-buta-1,3-dienyl]-2-ethyl-5,6-dihydro-[1,3]thiazolo[3,2-a]benzimidazole?
The IUPAC name of 1-[(1Z)-buta-1,3-dienyl]-2-ethyl-5,6-dihydro-[1,3]thiazolo[3,2-a]benzimidazole (CID 134409520) is 1-[(1Z)-buta-1,3-dienyl]-2-ethyl-5,6-dihydro-[1,3]thiazolo[3,2-a]benzimidazole.
What is the SMILES notation for 1-[(1Z)-buta-1,3-dienyl]-2-ethyl-5,6-dihydro-[1,3]thiazolo[3,2-a]benzimidazole?
The canonical SMILES for 1-[(1Z)-buta-1,3-dienyl]-2-ethyl-5,6-dihydro-[1,3]thiazolo[3,2-a]benzimidazole is C=C/C=C\c1c(CC)sc2nc3c(n12)C=CCC3.
What is the InChIKey of 1-[(1Z)-buta-1,3-dienyl]-2-ethyl-5,6-dihydro-[1,3]thiazolo[3,2-a]benzimidazole?
The InChIKey is NQMUPZSXKITCOB-UITAMQMPSA-N. The full InChI is InChI=1S/C15H16N2S/c1-3-5-9-13-14(4-2)18-15-16-11-8-6-7-10-12(11)17(13)15/h3,5,7,9-10H,1,4,6,8H2,2H3/b9-5-.
What are the key properties of 1-[(1Z)-buta-1,3-dienyl]-2-ethyl-5,6-dihydro-[1,3]thiazolo[3,2-a]benzimidazole?
1-[(1Z)-buta-1,3-dienyl]-2-ethyl-5,6-dihydro-[1,3]thiazolo[3,2-a]benzimidazole has a molecular weight of 256.37 g/mol, XLogP of 4.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1Z)-buta-1,3-dienyl]-2-ethyl-5,6-dihydro-[1,3]thiazolo[3,2-a]benzimidazole is sourced from PubChem (CID 134409520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).