6-cyclopropyl-2,3-dimethylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde

C11H12N2OS — CID 83085504

IUPAC6-cyclopropyl-2,3-dimethylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESCc1sc2nc(C3CC3)c(C=O)n2c1C
InChIInChI=1S/C11H12N2OS/c1-6-7(2)15-11-12-10(8-3-4-8)9(5-14)13(6)11/h5,8H,3-4H2,1-2H3
InChIKeyRTQQRQSLVABQNZ-UHFFFAOYSA-N
MW220.30 g/mol
LogP2.70
Rot. Bonds2

About 6-cyclopropyl-2,3-dimethylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde

6-cyclopropyl-2,3-dimethylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde (PubChem CID 83085504) has the molecular formula C11H12N2OS and a molecular weight of 220.30 g/mol. Its IUPAC name is 6-cyclopropyl-2,3-dimethylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde.

Molecular Properties

Compound Name6-cyclopropyl-2,3-dimethylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
PubChem CID83085504
Molecular FormulaC11H12N2OS
Molecular Weight220.30 g/mol
Exact Mass220.07
IUPAC Name6-cyclopropyl-2,3-dimethylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESCc1sc2nc(C3CC3)c(C=O)n2c1C
InChIInChI=1S/C11H12N2OS/c1-6-7(2)15-11-12-10(8-3-4-8)9(5-14)13(6)11/h5,8H,3-4H2,1-2H3
InChIKeyRTQQRQSLVABQNZ-UHFFFAOYSA-N
XLogP2.70
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 52.70
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 6-cyclopropyl-2,3-dimethylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The IUPAC name of 6-cyclopropyl-2,3-dimethylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde (CID 83085504) is 6-cyclopropyl-2,3-dimethylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde.
What is the SMILES notation for 6-cyclopropyl-2,3-dimethylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The canonical SMILES for 6-cyclopropyl-2,3-dimethylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde is Cc1sc2nc(C3CC3)c(C=O)n2c1C.
What is the InChIKey of 6-cyclopropyl-2,3-dimethylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The InChIKey is RTQQRQSLVABQNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS/c1-6-7(2)15-11-12-10(8-3-4-8)9(5-14)13(6)11/h5,8H,3-4H2,1-2H3.
What are the key properties of 6-cyclopropyl-2,3-dimethylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
6-cyclopropyl-2,3-dimethylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde has a molecular weight of 220.30 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-2,3-dimethylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde is sourced from PubChem (CID 83085504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).