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

C15H14BrN3OS — CID 39198057

IUPAC6-(4-bromophenyl)-2-(2-methylpropyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
SMILESCC(C)Cc1nn2c(C=O)c(-c3ccc(Br)cc3)nc2s1
InChIInChI=1S/C15H14BrN3OS/c1-9(2)7-13-18-19-12(8-20)14(17-15(19)21-13)10-3-5-11(16)6-4-10/h3-6,8-9H,7H2,1-2H3
InChIKeyBEXNUPOHXXJDGF-UHFFFAOYSA-N
MW364.27 g/mol
LogP4.23
Rot. Bonds4

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

6-(4-bromophenyl)-2-(2-methylpropyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde (PubChem CID 39198057) has the molecular formula C15H14BrN3OS and a molecular weight of 364.27 g/mol. Its IUPAC name is 6-(4-bromophenyl)-2-(2-methylpropyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde.

Molecular Properties

Compound Name6-(4-bromophenyl)-2-(2-methylpropyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
PubChem CID39198057
Molecular FormulaC15H14BrN3OS
Molecular Weight364.27 g/mol
Exact Mass363.00
IUPAC Name6-(4-bromophenyl)-2-(2-methylpropyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
SMILESCC(C)Cc1nn2c(C=O)c(-c3ccc(Br)cc3)nc2s1
InChIInChI=1S/C15H14BrN3OS/c1-9(2)7-13-18-19-12(8-20)14(17-15(19)21-13)10-3-5-11(16)6-4-10/h3-6,8-9H,7H2,1-2H3
InChIKeyBEXNUPOHXXJDGF-UHFFFAOYSA-N
XLogP4.23
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.27
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methylpropyl)-6-(4-phenylphenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
CID 39198060
2-benzyl-6-(4-bromophenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
CID 118714321
2-benzyl-6-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
CID 39198142
6-(4-fluorophenyl)-2-[2-(4-methylphenyl)ethyl]imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
CID 39198202
6-(methoxymethyl)-2-(2-methylpropyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
CID 106260432
6-(4-ethoxyphenyl)-2-propylimidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
CID 39198036
(5Z)-5-[[2-(2-methylpropyl)-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 6224546
6-(3,4-dimethylphenyl)-2-propylimidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
CID 39198017
6-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
CID 39198165
6-(3,4-dimethoxyphenyl)-2-ethylimidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
CID 39197939
2-cyclopropyl-6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
CID 39197951
6-(4-fluorophenyl)-2-pentan-3-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
CID 39197889

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromophenyl)-2-(2-methylpropyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde?
The IUPAC name of 6-(4-bromophenyl)-2-(2-methylpropyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde (CID 39198057) is 6-(4-bromophenyl)-2-(2-methylpropyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde.
What is the SMILES notation for 6-(4-bromophenyl)-2-(2-methylpropyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde?
The canonical SMILES for 6-(4-bromophenyl)-2-(2-methylpropyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde is CC(C)Cc1nn2c(C=O)c(-c3ccc(Br)cc3)nc2s1.
What is the InChIKey of 6-(4-bromophenyl)-2-(2-methylpropyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde?
The InChIKey is BEXNUPOHXXJDGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3OS/c1-9(2)7-13-18-19-12(8-20)14(17-15(19)21-13)10-3-5-11(16)6-4-10/h3-6,8-9H,7H2,1-2H3.
What are the key properties of 6-(4-bromophenyl)-2-(2-methylpropyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde?
6-(4-bromophenyl)-2-(2-methylpropyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde has a molecular weight of 364.27 g/mol, XLogP of 4.23, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromophenyl)-2-(2-methylpropyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde is sourced from PubChem (CID 39198057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).