6-propan-2-ylsulfanylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde

C9H10N2OS2 — CID 1180480

IUPAC6-propan-2-ylsulfanylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESCC(C)Sc1nc2sccn2c1C=O
InChIInChI=1S/C9H10N2OS2/c1-6(2)14-8-7(5-12)11-3-4-13-9(11)10-8/h3-6H,1-2H3
InChIKeyJHGLXTWLUWCGQI-UHFFFAOYSA-N
MW226.33 g/mol
LogP2.71
Rot. Bonds3

About 6-propan-2-ylsulfanylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde

6-propan-2-ylsulfanylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde (PubChem CID 1180480) has the molecular formula C9H10N2OS2 and a molecular weight of 226.33 g/mol. Its IUPAC name is 6-propan-2-ylsulfanylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde.

Molecular Properties

Compound Name6-propan-2-ylsulfanylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
PubChem CID1180480
Molecular FormulaC9H10N2OS2
Molecular Weight226.33 g/mol
Exact Mass226.02
IUPAC Name6-propan-2-ylsulfanylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESCC(C)Sc1nc2sccn2c1C=O
InChIInChI=1S/C9H10N2OS2/c1-6(2)14-8-7(5-12)11-3-4-13-9(11)10-8/h3-6H,1-2H3
InChIKeyJHGLXTWLUWCGQI-UHFFFAOYSA-N
XLogP2.71
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.33
LogP ≤ 52.71
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-propan-2-ylsulfanylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The IUPAC name of 6-propan-2-ylsulfanylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde (CID 1180480) is 6-propan-2-ylsulfanylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde.
What is the SMILES notation for 6-propan-2-ylsulfanylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The canonical SMILES for 6-propan-2-ylsulfanylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde is CC(C)Sc1nc2sccn2c1C=O.
What is the InChIKey of 6-propan-2-ylsulfanylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The InChIKey is JHGLXTWLUWCGQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2OS2/c1-6(2)14-8-7(5-12)11-3-4-13-9(11)10-8/h3-6H,1-2H3.
What are the key properties of 6-propan-2-ylsulfanylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
6-propan-2-ylsulfanylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde has a molecular weight of 226.33 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-ylsulfanylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde is sourced from PubChem (CID 1180480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).