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

C18H11Cl2N3OS — CID 118710860

IUPAC6-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
SMILESO=Cc1c(-c2ccc(Cl)cc2)nc2sc(Cc3ccc(Cl)cc3)nn12
InChIInChI=1S/C18H11Cl2N3OS/c19-13-5-1-11(2-6-13)9-16-22-23-15(10-24)17(21-18(23)25-16)12-3-7-14(20)8-4-12/h1-8,10H,9H2
InChIKeyXRTYWKLKORGNIV-UHFFFAOYSA-N
MW388.28 g/mol
LogP5.17
Rot. Bonds4

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

6-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde (PubChem CID 118710860) has the molecular formula C18H11Cl2N3OS and a molecular weight of 388.28 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde.

Molecular Properties

Compound Name6-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
PubChem CID118710860
Molecular FormulaC18H11Cl2N3OS
Molecular Weight388.28 g/mol
Exact Mass387.00
IUPAC Name6-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
SMILESO=Cc1c(-c2ccc(Cl)cc2)nc2sc(Cc3ccc(Cl)cc3)nn12
InChIInChI=1S/C18H11Cl2N3OS/c19-13-5-1-11(2-6-13)9-16-22-23-15(10-24)17(21-18(23)25-16)12-3-7-14(20)8-4-12/h1-8,10H,9H2
InChIKeyXRTYWKLKORGNIV-UHFFFAOYSA-N
XLogP5.17
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.28
LogP ≤ 55.17
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-[(4-chlorophenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde?
The IUPAC name of 6-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde (CID 118710860) is 6-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde.
What is the SMILES notation for 6-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde?
The canonical SMILES for 6-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde is O=Cc1c(-c2ccc(Cl)cc2)nc2sc(Cc3ccc(Cl)cc3)nn12.
What is the InChIKey of 6-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde?
The InChIKey is XRTYWKLKORGNIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11Cl2N3OS/c19-13-5-1-11(2-6-13)9-16-22-23-15(10-24)17(21-18(23)25-16)12-3-7-14(20)8-4-12/h1-8,10H,9H2.
What are the key properties of 6-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde?
6-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde has a molecular weight of 388.28 g/mol, XLogP of 5.17, 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-chlorophenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde is sourced from PubChem (CID 118710860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).