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

C12H8ClN3OS — CID 12783536

IUPAC6-(4-chlorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
SMILESCc1nn2c(C=O)c(-c3ccc(Cl)cc3)nc2s1
InChIInChI=1S/C12H8ClN3OS/c1-7-15-16-10(6-17)11(14-12(16)18-7)8-2-4-9(13)5-3-8/h2-6H,1H3
InChIKeyGQBACPIEPULOLY-UHFFFAOYSA-N
MW277.74 g/mol
LogP3.23
Rot. Bonds2

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

6-(4-chlorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde (PubChem CID 12783536) has the molecular formula C12H8ClN3OS and a molecular weight of 277.74 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde.

Molecular Properties

Compound Name6-(4-chlorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
PubChem CID12783536
Molecular FormulaC12H8ClN3OS
Molecular Weight277.74 g/mol
Exact Mass277.01
IUPAC Name6-(4-chlorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
SMILESCc1nn2c(C=O)c(-c3ccc(Cl)cc3)nc2s1
InChIInChI=1S/C12H8ClN3OS/c1-7-15-16-10(6-17)11(14-12(16)18-7)8-2-4-9(13)5-3-8/h2-6H,1H3
InChIKeyGQBACPIEPULOLY-UHFFFAOYSA-N
XLogP3.23
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.74
LogP ≤ 53.23
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 6-(4-chlorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde?
The IUPAC name of 6-(4-chlorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde (CID 12783536) is 6-(4-chlorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde.
What is the SMILES notation for 6-(4-chlorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde?
The canonical SMILES for 6-(4-chlorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde is Cc1nn2c(C=O)c(-c3ccc(Cl)cc3)nc2s1.
What is the InChIKey of 6-(4-chlorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde?
The InChIKey is GQBACPIEPULOLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClN3OS/c1-7-15-16-10(6-17)11(14-12(16)18-7)8-2-4-9(13)5-3-8/h2-6H,1H3.
What are the key properties of 6-(4-chlorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde?
6-(4-chlorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde has a molecular weight of 277.74 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde is sourced from PubChem (CID 12783536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).