6-(4-methylpyrimidin-2-yl)sulfanylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde

C11H8N4OS2 — CID 55238007

IUPAC6-(4-methylpyrimidin-2-yl)sulfanylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESCc1ccnc(Sc2nc3sccn3c2C=O)n1
InChIInChI=1S/C11H8N4OS2/c1-7-2-3-12-10(13-7)18-9-8(6-16)15-4-5-17-11(15)14-9/h2-6H,1H3
InChIKeyOKGLHMOZMMQTLA-UHFFFAOYSA-N
MW276.35 g/mol
LogP2.46
Rot. Bonds3

About 6-(4-methylpyrimidin-2-yl)sulfanylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde

6-(4-methylpyrimidin-2-yl)sulfanylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde (PubChem CID 55238007) has the molecular formula C11H8N4OS2 and a molecular weight of 276.35 g/mol. Its IUPAC name is 6-(4-methylpyrimidin-2-yl)sulfanylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde.

Molecular Properties

Compound Name6-(4-methylpyrimidin-2-yl)sulfanylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
PubChem CID55238007
Molecular FormulaC11H8N4OS2
Molecular Weight276.35 g/mol
Exact Mass276.01
IUPAC Name6-(4-methylpyrimidin-2-yl)sulfanylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESCc1ccnc(Sc2nc3sccn3c2C=O)n1
InChIInChI=1S/C11H8N4OS2/c1-7-2-3-12-10(13-7)18-9-8(6-16)15-4-5-17-11(15)14-9/h2-6H,1H3
InChIKeyOKGLHMOZMMQTLA-UHFFFAOYSA-N
XLogP2.46
TPSA60.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.35
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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-(4-methylpyrimidin-2-yl)sulfanylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The IUPAC name of 6-(4-methylpyrimidin-2-yl)sulfanylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde (CID 55238007) is 6-(4-methylpyrimidin-2-yl)sulfanylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde.
What is the SMILES notation for 6-(4-methylpyrimidin-2-yl)sulfanylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The canonical SMILES for 6-(4-methylpyrimidin-2-yl)sulfanylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde is Cc1ccnc(Sc2nc3sccn3c2C=O)n1.
What is the InChIKey of 6-(4-methylpyrimidin-2-yl)sulfanylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The InChIKey is OKGLHMOZMMQTLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4OS2/c1-7-2-3-12-10(13-7)18-9-8(6-16)15-4-5-17-11(15)14-9/h2-6H,1H3.
What are the key properties of 6-(4-methylpyrimidin-2-yl)sulfanylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
6-(4-methylpyrimidin-2-yl)sulfanylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde has a molecular weight of 276.35 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylpyrimidin-2-yl)sulfanylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde is sourced from PubChem (CID 55238007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).