3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-2-methylprop-2-enal

C11H12N2OS — CID 79330689

IUPAC3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-2-methylprop-2-enal
SMILESCC(C=O)=Cc1c(C)nc2sc(C)cn12
InChIInChI=1S/C11H12N2OS/c1-7(6-14)4-10-9(3)12-11-13(10)5-8(2)15-11/h4-6H,1-3H3
InChIKeyYALJLSHFDZRSQN-UHFFFAOYSA-N
MW220.30 g/mol
LogP2.61
Rot. Bonds2

About 3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-2-methylprop-2-enal

3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-2-methylprop-2-enal (PubChem CID 79330689) has the molecular formula C11H12N2OS and a molecular weight of 220.30 g/mol. Its IUPAC name is 3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-2-methylprop-2-enal.

Molecular Properties

Compound Name3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-2-methylprop-2-enal
PubChem CID79330689
Molecular FormulaC11H12N2OS
Molecular Weight220.30 g/mol
Exact Mass220.07
IUPAC Name3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-2-methylprop-2-enal
SMILESCC(C=O)=Cc1c(C)nc2sc(C)cn12
InChIInChI=1S/C11H12N2OS/c1-7(6-14)4-10-9(3)12-11-13(10)5-8(2)15-11/h4-6H,1-3H3
InChIKeyYALJLSHFDZRSQN-UHFFFAOYSA-N
XLogP2.61
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 ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-2-methylprop-2-enal?
The IUPAC name of 3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-2-methylprop-2-enal (CID 79330689) is 3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-2-methylprop-2-enal.
What is the SMILES notation for 3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-2-methylprop-2-enal?
The canonical SMILES for 3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-2-methylprop-2-enal is CC(C=O)=Cc1c(C)nc2sc(C)cn12.
What is the InChIKey of 3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-2-methylprop-2-enal?
The InChIKey is YALJLSHFDZRSQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS/c1-7(6-14)4-10-9(3)12-11-13(10)5-8(2)15-11/h4-6H,1-3H3.
What are the key properties of 3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-2-methylprop-2-enal?
3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-2-methylprop-2-enal has a molecular weight of 220.30 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-2-methylprop-2-enal is sourced from PubChem (CID 79330689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).