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

C20H16FN3OS — CID 39198202

IUPAC6-(4-fluorophenyl)-2-[2-(4-methylphenyl)ethyl]imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
SMILESCc1ccc(CCc2nn3c(C=O)c(-c4ccc(F)cc4)nc3s2)cc1
InChIInChI=1S/C20H16FN3OS/c1-13-2-4-14(5-3-13)6-11-18-23-24-17(12-25)19(22-20(24)26-18)15-7-9-16(21)10-8-15/h2-5,7-10,12H,6,11H2,1H3
InChIKeyDPPOADJZBFQCGE-UHFFFAOYSA-N
MW365.43 g/mol
LogP4.50
Rot. Bonds5

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

6-(4-fluorophenyl)-2-[2-(4-methylphenyl)ethyl]imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde (PubChem CID 39198202) has the molecular formula C20H16FN3OS and a molecular weight of 365.43 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-2-[2-(4-methylphenyl)ethyl]imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde.

Molecular Properties

Compound Name6-(4-fluorophenyl)-2-[2-(4-methylphenyl)ethyl]imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
PubChem CID39198202
Molecular FormulaC20H16FN3OS
Molecular Weight365.43 g/mol
Exact Mass365.10
IUPAC Name6-(4-fluorophenyl)-2-[2-(4-methylphenyl)ethyl]imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
SMILESCc1ccc(CCc2nn3c(C=O)c(-c4ccc(F)cc4)nc3s2)cc1
InChIInChI=1S/C20H16FN3OS/c1-13-2-4-14(5-3-13)6-11-18-23-24-17(12-25)19(22-20(24)26-18)15-7-9-16(21)10-8-15/h2-5,7-10,12H,6,11H2,1H3
InChIKeyDPPOADJZBFQCGE-UHFFFAOYSA-N
XLogP4.50
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 54.50
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-chlorophenyl)-2-[(4-fluorophenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
CID 39198165
6-(4-fluorophenyl)-2-pentan-3-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
CID 39197889
6-(3,4-dimethylphenyl)-2-propylimidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
CID 39198017
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-ethoxyphenyl)-2-propylimidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
CID 39198036
6-(4-bromophenyl)-2-(2-methylpropyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
CID 39198057
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
2-cyclopropyl-6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
CID 39197951
2-(3-phenoxypropyl)-6-phenylimidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
CID 39198239
6-(3,4-dimethoxyphenyl)-2-ethylimidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
CID 39197939

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-2-[2-(4-methylphenyl)ethyl]imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde?
The IUPAC name of 6-(4-fluorophenyl)-2-[2-(4-methylphenyl)ethyl]imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde (CID 39198202) is 6-(4-fluorophenyl)-2-[2-(4-methylphenyl)ethyl]imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde.
What is the SMILES notation for 6-(4-fluorophenyl)-2-[2-(4-methylphenyl)ethyl]imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde?
The canonical SMILES for 6-(4-fluorophenyl)-2-[2-(4-methylphenyl)ethyl]imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde is Cc1ccc(CCc2nn3c(C=O)c(-c4ccc(F)cc4)nc3s2)cc1.
What is the InChIKey of 6-(4-fluorophenyl)-2-[2-(4-methylphenyl)ethyl]imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde?
The InChIKey is DPPOADJZBFQCGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3OS/c1-13-2-4-14(5-3-13)6-11-18-23-24-17(12-25)19(22-20(24)26-18)15-7-9-16(21)10-8-15/h2-5,7-10,12H,6,11H2,1H3.
What are the key properties of 6-(4-fluorophenyl)-2-[2-(4-methylphenyl)ethyl]imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde?
6-(4-fluorophenyl)-2-[2-(4-methylphenyl)ethyl]imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde has a molecular weight of 365.43 g/mol, XLogP of 4.50, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-2-[2-(4-methylphenyl)ethyl]imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde is sourced from PubChem (CID 39198202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).