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

C10H3Cl3N2OS2 — CID 54770240

IUPAC2-chloro-6-(2,5-dichlorothiophen-3-yl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESO=Cc1c(-c2cc(Cl)sc2Cl)nc2sc(Cl)cn12
InChIInChI=1S/C10H3Cl3N2OS2/c11-6-1-4(9(13)17-6)8-5(3-16)15-2-7(12)18-10(15)14-8/h1-3H
InChIKeyGFJDCPCDUDPMBT-UHFFFAOYSA-N
MW337.64 g/mol
LogP4.90
Rot. Bonds2

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

2-chloro-6-(2,5-dichlorothiophen-3-yl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde (PubChem CID 54770240) has the molecular formula C10H3Cl3N2OS2 and a molecular weight of 337.64 g/mol. Its IUPAC name is 2-chloro-6-(2,5-dichlorothiophen-3-yl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde.

Molecular Properties

Compound Name2-chloro-6-(2,5-dichlorothiophen-3-yl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
PubChem CID54770240
Molecular FormulaC10H3Cl3N2OS2
Molecular Weight337.64 g/mol
Exact Mass335.88
IUPAC Name2-chloro-6-(2,5-dichlorothiophen-3-yl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESO=Cc1c(-c2cc(Cl)sc2Cl)nc2sc(Cl)cn12
InChIInChI=1S/C10H3Cl3N2OS2/c11-6-1-4(9(13)17-6)8-5(3-16)15-2-7(12)18-10(15)14-8/h1-3H
InChIKeyGFJDCPCDUDPMBT-UHFFFAOYSA-N
XLogP4.90
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.64
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-chloro-6-(2,5-dichlorothiophen-3-yl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(2,5-dichlorothiophen-3-yl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The IUPAC name of 2-chloro-6-(2,5-dichlorothiophen-3-yl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde (CID 54770240) is 2-chloro-6-(2,5-dichlorothiophen-3-yl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde.
What is the SMILES notation for 2-chloro-6-(2,5-dichlorothiophen-3-yl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The canonical SMILES for 2-chloro-6-(2,5-dichlorothiophen-3-yl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde is O=Cc1c(-c2cc(Cl)sc2Cl)nc2sc(Cl)cn12.
What is the InChIKey of 2-chloro-6-(2,5-dichlorothiophen-3-yl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The InChIKey is GFJDCPCDUDPMBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H3Cl3N2OS2/c11-6-1-4(9(13)17-6)8-5(3-16)15-2-7(12)18-10(15)14-8/h1-3H.
What are the key properties of 2-chloro-6-(2,5-dichlorothiophen-3-yl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
2-chloro-6-(2,5-dichlorothiophen-3-yl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde has a molecular weight of 337.64 g/mol, XLogP of 4.90, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(2,5-dichlorothiophen-3-yl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde is sourced from PubChem (CID 54770240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).