methyl 4-(6-propan-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)butanoate

C13H18N2O2S — CID 80661510

IUPACmethyl 4-(6-propan-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)butanoate
SMILESCOC(=O)CCCc1csc2nc(C(C)C)cn12
InChIInChI=1S/C13H18N2O2S/c1-9(2)11-7-15-10(8-18-13(15)14-11)5-4-6-12(16)17-3/h7-9H,4-6H2,1-3H3
InChIKeyCNECEUQQBJYFQS-UHFFFAOYSA-N
MW266.37 g/mol
LogP3.01
Rot. Bonds5

About methyl 4-(6-propan-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)butanoate

methyl 4-(6-propan-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)butanoate (PubChem CID 80661510) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is methyl 4-(6-propan-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)butanoate.

Molecular Properties

Compound Namemethyl 4-(6-propan-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)butanoate
PubChem CID80661510
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC Namemethyl 4-(6-propan-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)butanoate
SMILESCOC(=O)CCCc1csc2nc(C(C)C)cn12
InChIInChI=1S/C13H18N2O2S/c1-9(2)11-7-15-10(8-18-13(15)14-11)5-4-6-12(16)17-3/h7-9H,4-6H2,1-3H3
InChIKeyCNECEUQQBJYFQS-UHFFFAOYSA-N
XLogP3.01
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 4-(6-propan-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)butanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 4-(6-propan-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)butanoate?
The IUPAC name of methyl 4-(6-propan-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)butanoate (CID 80661510) is methyl 4-(6-propan-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)butanoate.
What is the SMILES notation for methyl 4-(6-propan-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)butanoate?
The canonical SMILES for methyl 4-(6-propan-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)butanoate is COC(=O)CCCc1csc2nc(C(C)C)cn12.
What is the InChIKey of methyl 4-(6-propan-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)butanoate?
The InChIKey is CNECEUQQBJYFQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S/c1-9(2)11-7-15-10(8-18-13(15)14-11)5-4-6-12(16)17-3/h7-9H,4-6H2,1-3H3.
What are the key properties of methyl 4-(6-propan-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)butanoate?
methyl 4-(6-propan-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)butanoate has a molecular weight of 266.37 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(6-propan-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)butanoate is sourced from PubChem (CID 80661510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).