6-morpholin-4-ylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde

C10H11N3O2S — CID 16780554

IUPAC6-morpholin-4-ylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESO=Cc1c(N2CCOCC2)nc2sccn12
InChIInChI=1S/C10H11N3O2S/c14-7-8-9(12-1-4-15-5-2-12)11-10-13(8)3-6-16-10/h3,6-7H,1-2,4-5H2
InChIKeyOPSXCEHOLWPXBO-UHFFFAOYSA-N
MW237.28 g/mol
LogP1.04
Rot. Bonds2

About 6-morpholin-4-ylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde

6-morpholin-4-ylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde (PubChem CID 16780554) has the molecular formula C10H11N3O2S and a molecular weight of 237.28 g/mol. Its IUPAC name is 6-morpholin-4-ylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde.

Molecular Properties

Compound Name6-morpholin-4-ylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
PubChem CID16780554
Molecular FormulaC10H11N3O2S
Molecular Weight237.28 g/mol
Exact Mass237.06
IUPAC Name6-morpholin-4-ylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESO=Cc1c(N2CCOCC2)nc2sccn12
InChIInChI=1S/C10H11N3O2S/c14-7-8-9(12-1-4-15-5-2-12)11-10-13(8)3-6-16-10/h3,6-7H,1-2,4-5H2
InChIKeyOPSXCEHOLWPXBO-UHFFFAOYSA-N
XLogP1.04
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-morpholin-4-ylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The IUPAC name of 6-morpholin-4-ylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde (CID 16780554) is 6-morpholin-4-ylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde.
What is the SMILES notation for 6-morpholin-4-ylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The canonical SMILES for 6-morpholin-4-ylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde is O=Cc1c(N2CCOCC2)nc2sccn12.
What is the InChIKey of 6-morpholin-4-ylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The InChIKey is OPSXCEHOLWPXBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2S/c14-7-8-9(12-1-4-15-5-2-12)11-10-13(8)3-6-16-10/h3,6-7H,1-2,4-5H2.
What are the key properties of 6-morpholin-4-ylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
6-morpholin-4-ylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde has a molecular weight of 237.28 g/mol, XLogP of 1.04, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-morpholin-4-ylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde is sourced from PubChem (CID 16780554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).