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

C18H11ClFN3OS — CID 39198165

IUPAC6-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
SMILESO=Cc1c(-c2ccc(Cl)cc2)nc2sc(Cc3ccc(F)cc3)nn12
InChIInChI=1S/C18H11ClFN3OS/c19-13-5-3-12(4-6-13)17-15(10-24)23-18(21-17)25-16(22-23)9-11-1-7-14(20)8-2-11/h1-8,10H,9H2
InChIKeyILXIFTISFJGBAU-UHFFFAOYSA-N
MW371.82 g/mol
LogP4.65
Rot. Bonds4

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

6-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde (PubChem CID 39198165) has the molecular formula C18H11ClFN3OS and a molecular weight of 371.82 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde.

Molecular Properties

Compound Name6-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
PubChem CID39198165
Molecular FormulaC18H11ClFN3OS
Molecular Weight371.82 g/mol
Exact Mass371.03
IUPAC Name6-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
SMILESO=Cc1c(-c2ccc(Cl)cc2)nc2sc(Cc3ccc(F)cc3)nn12
InChIInChI=1S/C18H11ClFN3OS/c19-13-5-3-12(4-6-13)17-15(10-24)23-18(21-17)25-16(22-23)9-11-1-7-14(20)8-2-11/h1-8,10H,9H2
InChIKeyILXIFTISFJGBAU-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'}

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Related Compounds

6-(4-fluorophenyl)-2-[2-(4-methylphenyl)ethyl]imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
CID 39198202
2-benzyl-6-(4-bromophenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
CID 118714321
2-benzyl-6-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
CID 39198142
5-bromo-6-(4-bromophenyl)-2-[(4-chlorophenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazole
CID 118710853
6-(4-fluorophenyl)-2-pentan-3-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
CID 39197889
2-(2-cyclohexylethyl)-6-(4-ethylphenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
CID 39198215
2-(2-methylpropyl)-6-(4-phenylphenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
CID 39198060
6-(4-bromophenyl)-2-(2-methylpropyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
CID 39198057
6-(4-ethoxyphenyl)-2-propylimidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
CID 39198036
2-chloro-6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 10709091
2-(3-phenoxypropyl)-6-phenylimidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
CID 39198239
6-(3,4-dimethylphenyl)-2-propylimidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
CID 39198017

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde?
The IUPAC name of 6-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde (CID 39198165) is 6-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde.
What is the SMILES notation for 6-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde?
The canonical SMILES for 6-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde is O=Cc1c(-c2ccc(Cl)cc2)nc2sc(Cc3ccc(F)cc3)nn12.
What is the InChIKey of 6-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde?
The InChIKey is ILXIFTISFJGBAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClFN3OS/c19-13-5-3-12(4-6-13)17-15(10-24)23-18(21-17)25-16(22-23)9-11-1-7-14(20)8-2-11/h1-8,10H,9H2.
What are the key properties of 6-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde?
6-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]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 6-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde is sourced from PubChem (CID 39198165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).