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

C15H13N3OS — CID 39197951

IUPAC2-cyclopropyl-6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
SMILESCc1ccc(-c2nc3sc(C4CC4)nn3c2C=O)cc1
InChIInChI=1S/C15H13N3OS/c1-9-2-4-10(5-3-9)13-12(8-19)18-15(16-13)20-14(17-18)11-6-7-11/h2-5,8,11H,6-7H2,1H3
InChIKeyCLJXLYIEMQTIFR-UHFFFAOYSA-N
MW283.36 g/mol
LogP3.46
Rot. Bonds3

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

2-cyclopropyl-6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde (PubChem CID 39197951) has the molecular formula C15H13N3OS and a molecular weight of 283.36 g/mol. Its IUPAC name is 2-cyclopropyl-6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde.

Molecular Properties

Compound Name2-cyclopropyl-6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
PubChem CID39197951
Molecular FormulaC15H13N3OS
Molecular Weight283.36 g/mol
Exact Mass283.08
IUPAC Name2-cyclopropyl-6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
SMILESCc1ccc(-c2nc3sc(C4CC4)nn3c2C=O)cc1
InChIInChI=1S/C15H13N3OS/c1-9-2-4-10(5-3-9)13-12(8-19)18-15(16-13)20-14(17-18)11-6-7-11/h2-5,8,11H,6-7H2,1H3
InChIKeyCLJXLYIEMQTIFR-UHFFFAOYSA-N
XLogP3.46
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 53.46
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-cyclopropyl-6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde?
The IUPAC name of 2-cyclopropyl-6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde (CID 39197951) is 2-cyclopropyl-6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde.
What is the SMILES notation for 2-cyclopropyl-6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde?
The canonical SMILES for 2-cyclopropyl-6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde is Cc1ccc(-c2nc3sc(C4CC4)nn3c2C=O)cc1.
What is the InChIKey of 2-cyclopropyl-6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde?
The InChIKey is CLJXLYIEMQTIFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3OS/c1-9-2-4-10(5-3-9)13-12(8-19)18-15(16-13)20-14(17-18)11-6-7-11/h2-5,8,11H,6-7H2,1H3.
What are the key properties of 2-cyclopropyl-6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde?
2-cyclopropyl-6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde has a molecular weight of 283.36 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde is sourced from PubChem (CID 39197951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).