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

C19H14ClN3OS — CID 139088162

IUPAC6-(4-chlorophenyl)-2-[(4-methylphenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
SMILESCc1ccc(Cc2nn3c(C=O)c(-c4ccc(Cl)cc4)nc3s2)cc1
InChIInChI=1S/C19H14ClN3OS/c1-12-2-4-13(5-3-12)10-17-22-23-16(11-24)18(21-19(23)25-17)14-6-8-15(20)9-7-14/h2-9,11H,10H2,1H3
InChIKeySOWNRFLFQMPNIF-UHFFFAOYSA-N
MW367.86 g/mol
LogP4.82
Rot. Bonds4

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

6-(4-chlorophenyl)-2-[(4-methylphenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde (PubChem CID 139088162) has the molecular formula C19H14ClN3OS and a molecular weight of 367.86 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-2-[(4-methylphenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde.

Molecular Properties

Compound Name6-(4-chlorophenyl)-2-[(4-methylphenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
PubChem CID139088162
Molecular FormulaC19H14ClN3OS
Molecular Weight367.86 g/mol
Exact Mass367.05
IUPAC Name6-(4-chlorophenyl)-2-[(4-methylphenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
SMILESCc1ccc(Cc2nn3c(C=O)c(-c4ccc(Cl)cc4)nc3s2)cc1
InChIInChI=1S/C19H14ClN3OS/c1-12-2-4-13(5-3-12)10-17-22-23-16(11-24)18(21-19(23)25-17)14-6-8-15(20)9-7-14/h2-9,11H,10H2,1H3
InChIKeySOWNRFLFQMPNIF-UHFFFAOYSA-N
XLogP4.82
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.86
LogP ≤ 54.82
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-methylphenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde?
The IUPAC name of 6-(4-chlorophenyl)-2-[(4-methylphenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde (CID 139088162) is 6-(4-chlorophenyl)-2-[(4-methylphenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde.
What is the SMILES notation for 6-(4-chlorophenyl)-2-[(4-methylphenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde?
The canonical SMILES for 6-(4-chlorophenyl)-2-[(4-methylphenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde is Cc1ccc(Cc2nn3c(C=O)c(-c4ccc(Cl)cc4)nc3s2)cc1.
What is the InChIKey of 6-(4-chlorophenyl)-2-[(4-methylphenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde?
The InChIKey is SOWNRFLFQMPNIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN3OS/c1-12-2-4-13(5-3-12)10-17-22-23-16(11-24)18(21-19(23)25-17)14-6-8-15(20)9-7-14/h2-9,11H,10H2,1H3.
What are the key properties of 6-(4-chlorophenyl)-2-[(4-methylphenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde?
6-(4-chlorophenyl)-2-[(4-methylphenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde has a molecular weight of 367.86 g/mol, XLogP of 4.82, 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-methylphenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde is sourced from PubChem (CID 139088162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).