2-[(4-chlorophenyl)methyl]-6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde

C18H11ClFN3OS — CID 53305115

IUPAC2-[(4-chlorophenyl)methyl]-6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
SMILESO=Cc1c(-c2ccc(F)cc2)nc2sc(Cc3ccc(Cl)cc3)nn12
InChIInChI=1S/C18H11ClFN3OS/c19-13-5-1-11(2-6-13)9-16-22-23-15(10-24)17(21-18(23)25-16)12-3-7-14(20)8-4-12/h1-8,10H,9H2
InChIKeyNNIPLTPYLTUZDK-UHFFFAOYSA-N
MW371.82 g/mol
LogP4.65
Rot. Bonds4

About 2-[(4-chlorophenyl)methyl]-6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde

2-[(4-chlorophenyl)methyl]-6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde (PubChem CID 53305115) has the molecular formula C18H11ClFN3OS and a molecular weight of 371.82 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl]-6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl]-6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
PubChem CID53305115
Molecular FormulaC18H11ClFN3OS
Molecular Weight371.82 g/mol
Exact Mass371.03
IUPAC Name2-[(4-chlorophenyl)methyl]-6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
SMILESO=Cc1c(-c2ccc(F)cc2)nc2sc(Cc3ccc(Cl)cc3)nn12
InChIInChI=1S/C18H11ClFN3OS/c19-13-5-1-11(2-6-13)9-16-22-23-15(10-24)17(21-18(23)25-16)12-3-7-14(20)8-4-12/h1-8,10H,9H2
InChIKeyNNIPLTPYLTUZDK-UHFFFAOYSA-N
XLogP4.65
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.82
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[(4-chlorophenyl)methyl]-6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde 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 2-[(4-chlorophenyl)methyl]-6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde?
The IUPAC name of 2-[(4-chlorophenyl)methyl]-6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde (CID 53305115) is 2-[(4-chlorophenyl)methyl]-6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl]-6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde?
The canonical SMILES for 2-[(4-chlorophenyl)methyl]-6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde is O=Cc1c(-c2ccc(F)cc2)nc2sc(Cc3ccc(Cl)cc3)nn12.
What is the InChIKey of 2-[(4-chlorophenyl)methyl]-6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde?
The InChIKey is NNIPLTPYLTUZDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClFN3OS/c19-13-5-1-11(2-6-13)9-16-22-23-15(10-24)17(21-18(23)25-16)12-3-7-14(20)8-4-12/h1-8,10H,9H2.
What are the key properties of 2-[(4-chlorophenyl)methyl]-6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde?
2-[(4-chlorophenyl)methyl]-6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde has a molecular weight of 371.82 g/mol, XLogP of 4.65, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methyl]-6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde is sourced from PubChem (CID 53305115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).