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

C18H12FN3OS — CID 39198145

IUPAC2-benzyl-6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
SMILESO=Cc1c(-c2ccc(F)cc2)nc2sc(Cc3ccccc3)nn12
InChIInChI=1S/C18H12FN3OS/c19-14-8-6-13(7-9-14)17-15(11-23)22-18(20-17)24-16(21-22)10-12-4-2-1-3-5-12/h1-9,11H,10H2
InChIKeyQGBYCVOQHKEDHK-UHFFFAOYSA-N
MW337.38 g/mol
LogP4.00
Rot. Bonds4

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

2-benzyl-6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde (PubChem CID 39198145) has the molecular formula C18H12FN3OS and a molecular weight of 337.38 g/mol. Its IUPAC name is 2-benzyl-6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde.

Molecular Properties

Compound Name2-benzyl-6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
PubChem CID39198145
Molecular FormulaC18H12FN3OS
Molecular Weight337.38 g/mol
Exact Mass337.07
IUPAC Name2-benzyl-6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
SMILESO=Cc1c(-c2ccc(F)cc2)nc2sc(Cc3ccccc3)nn12
InChIInChI=1S/C18H12FN3OS/c19-14-8-6-13(7-9-14)17-15(11-23)22-18(20-17)24-16(21-22)10-12-4-2-1-3-5-12/h1-9,11H,10H2
InChIKeyQGBYCVOQHKEDHK-UHFFFAOYSA-N
XLogP4.00
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde?
The IUPAC name of 2-benzyl-6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde (CID 39198145) is 2-benzyl-6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde.
What is the SMILES notation for 2-benzyl-6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde?
The canonical SMILES for 2-benzyl-6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde is O=Cc1c(-c2ccc(F)cc2)nc2sc(Cc3ccccc3)nn12.
What is the InChIKey of 2-benzyl-6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde?
The InChIKey is QGBYCVOQHKEDHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FN3OS/c19-14-8-6-13(7-9-14)17-15(11-23)22-18(20-17)24-16(21-22)10-12-4-2-1-3-5-12/h1-9,11H,10H2.
What are the key properties of 2-benzyl-6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde?
2-benzyl-6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde has a molecular weight of 337.38 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde is sourced from PubChem (CID 39198145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).