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

C10H6Cl2N2OS2 — CID 24800311

IUPAC6-(2,5-dichlorothiophen-3-yl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESO=Cc1c(-c2cc(Cl)sc2Cl)nc2n1CCS2
InChIInChI=1S/C10H6Cl2N2OS2/c11-7-3-5(9(12)17-7)8-6(4-15)14-1-2-16-10(14)13-8/h3-4H,1-2H2
InChIKeyFFOUHCGOYWOXKH-UHFFFAOYSA-N
MW305.21 g/mol
LogP3.84
Rot. Bonds2

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

6-(2,5-dichlorothiophen-3-yl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carbaldehyde (PubChem CID 24800311) has the molecular formula C10H6Cl2N2OS2 and a molecular weight of 305.21 g/mol. Its IUPAC name is 6-(2,5-dichlorothiophen-3-yl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carbaldehyde.

Molecular Properties

Compound Name6-(2,5-dichlorothiophen-3-yl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
PubChem CID24800311
Molecular FormulaC10H6Cl2N2OS2
Molecular Weight305.21 g/mol
Exact Mass303.93
IUPAC Name6-(2,5-dichlorothiophen-3-yl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESO=Cc1c(-c2cc(Cl)sc2Cl)nc2n1CCS2
InChIInChI=1S/C10H6Cl2N2OS2/c11-7-3-5(9(12)17-7)8-6(4-15)14-1-2-16-10(14)13-8/h3-4H,1-2H2
InChIKeyFFOUHCGOYWOXKH-UHFFFAOYSA-N
XLogP3.84
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.21
LogP ≤ 53.84
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)-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The IUPAC name of 6-(2,5-dichlorothiophen-3-yl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carbaldehyde (CID 24800311) is 6-(2,5-dichlorothiophen-3-yl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carbaldehyde.
What is the SMILES notation for 6-(2,5-dichlorothiophen-3-yl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The canonical SMILES for 6-(2,5-dichlorothiophen-3-yl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carbaldehyde is O=Cc1c(-c2cc(Cl)sc2Cl)nc2n1CCS2.
What is the InChIKey of 6-(2,5-dichlorothiophen-3-yl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The InChIKey is FFOUHCGOYWOXKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2N2OS2/c11-7-3-5(9(12)17-7)8-6(4-15)14-1-2-16-10(14)13-8/h3-4H,1-2H2.
What are the key properties of 6-(2,5-dichlorothiophen-3-yl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
6-(2,5-dichlorothiophen-3-yl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carbaldehyde has a molecular weight of 305.21 g/mol, XLogP of 3.84, 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)-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carbaldehyde is sourced from PubChem (CID 24800311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).