2,3-dimethyl-6-propylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde

C11H14N2OS — CID 83085706

IUPAC2,3-dimethyl-6-propylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESCCCc1nc2sc(C)c(C)n2c1C=O
InChIInChI=1S/C11H14N2OS/c1-4-5-9-10(6-14)13-7(2)8(3)15-11(13)12-9/h6H,4-5H2,1-3H3
InChIKeyOUKDGEVWTDPVJE-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.78
Rot. Bonds3

About 2,3-dimethyl-6-propylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde

2,3-dimethyl-6-propylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde (PubChem CID 83085706) has the molecular formula C11H14N2OS and a molecular weight of 222.31 g/mol. Its IUPAC name is 2,3-dimethyl-6-propylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde.

Molecular Properties

Compound Name2,3-dimethyl-6-propylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
PubChem CID83085706
Molecular FormulaC11H14N2OS
Molecular Weight222.31 g/mol
Exact Mass222.08
IUPAC Name2,3-dimethyl-6-propylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESCCCc1nc2sc(C)c(C)n2c1C=O
InChIInChI=1S/C11H14N2OS/c1-4-5-9-10(6-14)13-7(2)8(3)15-11(13)12-9/h6H,4-5H2,1-3H3
InChIKeyOUKDGEVWTDPVJE-UHFFFAOYSA-N
XLogP2.78
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.78
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 2,3-dimethyl-6-propylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The IUPAC name of 2,3-dimethyl-6-propylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde (CID 83085706) is 2,3-dimethyl-6-propylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde.
What is the SMILES notation for 2,3-dimethyl-6-propylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The canonical SMILES for 2,3-dimethyl-6-propylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde is CCCc1nc2sc(C)c(C)n2c1C=O.
What is the InChIKey of 2,3-dimethyl-6-propylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The InChIKey is OUKDGEVWTDPVJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2OS/c1-4-5-9-10(6-14)13-7(2)8(3)15-11(13)12-9/h6H,4-5H2,1-3H3.
What are the key properties of 2,3-dimethyl-6-propylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
2,3-dimethyl-6-propylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde has a molecular weight of 222.31 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-6-propylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde is sourced from PubChem (CID 83085706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).