3-tert-butylimidazo[2,1-b][1,3]thiazole-6-carbaldehyde

C10H12N2OS — CID 82062059

IUPAC3-tert-butylimidazo[2,1-b][1,3]thiazole-6-carbaldehyde
SMILESCC(C)(C)c1csc2nc(C=O)cn12
InChIInChI=1S/C10H12N2OS/c1-10(2,3)8-6-14-9-11-7(5-13)4-12(8)9/h4-6H,1-3H3
InChIKeyWGHLMTKKMSXJJL-UHFFFAOYSA-N
MW208.29 g/mol
LogP2.51
Rot. Bonds1

About 3-tert-butylimidazo[2,1-b][1,3]thiazole-6-carbaldehyde

3-tert-butylimidazo[2,1-b][1,3]thiazole-6-carbaldehyde (PubChem CID 82062059) has the molecular formula C10H12N2OS and a molecular weight of 208.29 g/mol. Its IUPAC name is 3-tert-butylimidazo[2,1-b][1,3]thiazole-6-carbaldehyde.

Molecular Properties

Compound Name3-tert-butylimidazo[2,1-b][1,3]thiazole-6-carbaldehyde
PubChem CID82062059
Molecular FormulaC10H12N2OS
Molecular Weight208.29 g/mol
Exact Mass208.07
IUPAC Name3-tert-butylimidazo[2,1-b][1,3]thiazole-6-carbaldehyde
SMILESCC(C)(C)c1csc2nc(C=O)cn12
InChIInChI=1S/C10H12N2OS/c1-10(2,3)8-6-14-9-11-7(5-13)4-12(8)9/h4-6H,1-3H3
InChIKeyWGHLMTKKMSXJJL-UHFFFAOYSA-N
XLogP2.51
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butylimidazo[2,1-b][1,3]thiazole-6-carbaldehyde?
The IUPAC name of 3-tert-butylimidazo[2,1-b][1,3]thiazole-6-carbaldehyde (CID 82062059) is 3-tert-butylimidazo[2,1-b][1,3]thiazole-6-carbaldehyde.
What is the SMILES notation for 3-tert-butylimidazo[2,1-b][1,3]thiazole-6-carbaldehyde?
The canonical SMILES for 3-tert-butylimidazo[2,1-b][1,3]thiazole-6-carbaldehyde is CC(C)(C)c1csc2nc(C=O)cn12.
What is the InChIKey of 3-tert-butylimidazo[2,1-b][1,3]thiazole-6-carbaldehyde?
The InChIKey is WGHLMTKKMSXJJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2OS/c1-10(2,3)8-6-14-9-11-7(5-13)4-12(8)9/h4-6H,1-3H3.
What are the key properties of 3-tert-butylimidazo[2,1-b][1,3]thiazole-6-carbaldehyde?
3-tert-butylimidazo[2,1-b][1,3]thiazole-6-carbaldehyde has a molecular weight of 208.29 g/mol, XLogP of 2.51, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butylimidazo[2,1-b][1,3]thiazole-6-carbaldehyde is sourced from PubChem (CID 82062059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).