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

C10H5Cl2N3OS2 — CID 54770244

IUPAC6-(2,5-dichlorothiophen-3-yl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
SMILESCc1nn2c(C=O)c(-c3cc(Cl)sc3Cl)nc2s1
InChIInChI=1S/C10H5Cl2N3OS2/c1-4-14-15-6(3-16)8(13-10(15)17-4)5-2-7(11)18-9(5)12/h2-3H,1H3
InChIKeyMGMVYCNDOIPACJ-UHFFFAOYSA-N
MW318.21 g/mol
LogP3.95
Rot. Bonds2

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

6-(2,5-dichlorothiophen-3-yl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde (PubChem CID 54770244) has the molecular formula C10H5Cl2N3OS2 and a molecular weight of 318.21 g/mol. Its IUPAC name is 6-(2,5-dichlorothiophen-3-yl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde.

Molecular Properties

Compound Name6-(2,5-dichlorothiophen-3-yl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
PubChem CID54770244
Molecular FormulaC10H5Cl2N3OS2
Molecular Weight318.21 g/mol
Exact Mass316.93
IUPAC Name6-(2,5-dichlorothiophen-3-yl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
SMILESCc1nn2c(C=O)c(-c3cc(Cl)sc3Cl)nc2s1
InChIInChI=1S/C10H5Cl2N3OS2/c1-4-14-15-6(3-16)8(13-10(15)17-4)5-2-7(11)18-9(5)12/h2-3H,1H3
InChIKeyMGMVYCNDOIPACJ-UHFFFAOYSA-N
XLogP3.95
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.21
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-(4-Chlorophenyl)-2-[(4-chlorophenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
CID 118710860
2-Chloro-6-(2,5-dichlorothiophen-3-yl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 54770240
2-[(4-Chlorophenyl)methyl]-6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
CID 118710863
2-[(4-Chlorophenyl)methyl]-6-phenylimidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
CID 118710865
6-Phenyl-2-(2-thienyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
CID 15954485
6-(4-Chlorophenyl)-2-(4-methylbenzyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
CID 139088162
2-[(4-Fluorophenyl)methyl]-6-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
CID 39198170
6-(4-Chlorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
CID 12783536
6-(3,4-Dichlorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
CID 12783537
2-Methyl-6-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
CID 15581691
6-(2,5-Dichlorothiophen-3-yl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 24800311
6-(2,5-Dichlorothiophen-3-yl)-2-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 24800487

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dichlorothiophen-3-yl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde?
The IUPAC name of 6-(2,5-dichlorothiophen-3-yl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde (CID 54770244) is 6-(2,5-dichlorothiophen-3-yl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde.
What is the SMILES notation for 6-(2,5-dichlorothiophen-3-yl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde?
The canonical SMILES for 6-(2,5-dichlorothiophen-3-yl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde is Cc1nn2c(C=O)c(-c3cc(Cl)sc3Cl)nc2s1.
What is the InChIKey of 6-(2,5-dichlorothiophen-3-yl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde?
The InChIKey is MGMVYCNDOIPACJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Cl2N3OS2/c1-4-14-15-6(3-16)8(13-10(15)17-4)5-2-7(11)18-9(5)12/h2-3H,1H3.
What are the key properties of 6-(2,5-dichlorothiophen-3-yl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde?
6-(2,5-dichlorothiophen-3-yl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde has a molecular weight of 318.21 g/mol, XLogP of 3.95, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dichlorothiophen-3-yl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde is sourced from PubChem (CID 54770244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).