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

C11H6Cl2N2OS2 — CID 24800487

IUPAC6-(2,5-dichlorothiophen-3-yl)-2-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESCc1cn2c(C=O)c(-c3cc(Cl)sc3Cl)nc2s1
InChIInChI=1S/C11H6Cl2N2OS2/c1-5-3-15-7(4-16)9(14-11(15)17-5)6-2-8(12)18-10(6)13/h2-4H,1H3
InChIKeyLUBQULLVSCCLSW-UHFFFAOYSA-N
MW317.22 g/mol
LogP4.55
Rot. Bonds2

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

6-(2,5-dichlorothiophen-3-yl)-2-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde (PubChem CID 24800487) has the molecular formula C11H6Cl2N2OS2 and a molecular weight of 317.22 g/mol. Its IUPAC name is 6-(2,5-dichlorothiophen-3-yl)-2-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde.

Molecular Properties

Compound Name6-(2,5-dichlorothiophen-3-yl)-2-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
PubChem CID24800487
Molecular FormulaC11H6Cl2N2OS2
Molecular Weight317.22 g/mol
Exact Mass315.93
IUPAC Name6-(2,5-dichlorothiophen-3-yl)-2-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESCc1cn2c(C=O)c(-c3cc(Cl)sc3Cl)nc2s1
InChIInChI=1S/C11H6Cl2N2OS2/c1-5-3-15-7(4-16)9(14-11(15)17-5)6-2-8(12)18-10(6)13/h2-4H,1H3
InChIKeyLUBQULLVSCCLSW-UHFFFAOYSA-N
XLogP4.55
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.22
LogP ≤ 54.55
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-(2,5-dichlorothiophen-3-yl)-2-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The IUPAC name of 6-(2,5-dichlorothiophen-3-yl)-2-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde (CID 24800487) is 6-(2,5-dichlorothiophen-3-yl)-2-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde.
What is the SMILES notation for 6-(2,5-dichlorothiophen-3-yl)-2-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The canonical SMILES for 6-(2,5-dichlorothiophen-3-yl)-2-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde is Cc1cn2c(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]thiazole-5-carbaldehyde?
The InChIKey is LUBQULLVSCCLSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Cl2N2OS2/c1-5-3-15-7(4-16)9(14-11(15)17-5)6-2-8(12)18-10(6)13/h2-4H,1H3.
What are the key properties of 6-(2,5-dichlorothiophen-3-yl)-2-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
6-(2,5-dichlorothiophen-3-yl)-2-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde has a molecular weight of 317.22 g/mol, XLogP of 4.55, 2 rotatable bonds, 0 hydrogen bond donors, and 5 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]thiazole-5-carbaldehyde is sourced from PubChem (CID 24800487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).