(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl butanoate

C11H14N2O2S — CID 23462412

IUPAC(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl butanoate
SMILESCCCC(=O)OCc1cn2c(C)csc2n1
InChIInChI=1S/C11H14N2O2S/c1-3-4-10(14)15-6-9-5-13-8(2)7-16-11(13)12-9/h5,7H,3-4,6H2,1-2H3
InChIKeyLJUQLPMNRQUOOB-UHFFFAOYSA-N
MW238.31 g/mol
LogP2.55
Rot. Bonds4

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

(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl butanoate (PubChem CID 23462412) has the molecular formula C11H14N2O2S and a molecular weight of 238.31 g/mol. Its IUPAC name is (3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl butanoate.

Molecular Properties

Compound Name(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl butanoate
PubChem CID23462412
Molecular FormulaC11H14N2O2S
Molecular Weight238.31 g/mol
Exact Mass238.08
IUPAC Name(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl butanoate
SMILESCCCC(=O)OCc1cn2c(C)csc2n1
InChIInChI=1S/C11H14N2O2S/c1-3-4-10(14)15-6-9-5-13-8(2)7-16-11(13)12-9/h5,7H,3-4,6H2,1-2H3
InChIKeyLJUQLPMNRQUOOB-UHFFFAOYSA-N
XLogP2.55
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl pentanoate
CID 20946482
2-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)ethanamine;hydrochloride
CID 53396521
(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 4-oxo-4-(4-propylphenyl)butanoate
CID 7227156
3,6-dimethylimidazo[2,1-b][1,3]thiazole
CID 4029317
(4-methyl-1,3-thiazol-2-yl)methyl pentanoate
CID 70669978
(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-thiophen-3-ylpropanoate
CID 47007872
3-[6-(methoxymethyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanoic acid
CID 107508384
ethyl (1,2-13C2)butanoate
CID 157463359
ethyl butanoate
CID 7762
4-methoxy-N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]benzenesulfonamide
CID 23603678
(2-ethyl-1,3-thiazol-4-yl)methyl hexanoate
CID 78842387
(1R,6R)-6-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methylcarbamoyl]cyclohex-3-ene-1-carboxylate
CID 7080805

Frequently Asked Questions

What is the IUPAC name of (3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl butanoate?
The IUPAC name of (3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl butanoate (CID 23462412) is (3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl butanoate.
What is the SMILES notation for (3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl butanoate?
The canonical SMILES for (3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl butanoate is CCCC(=O)OCc1cn2c(C)csc2n1.
What is the InChIKey of (3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl butanoate?
The InChIKey is LJUQLPMNRQUOOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2S/c1-3-4-10(14)15-6-9-5-13-8(2)7-16-11(13)12-9/h5,7H,3-4,6H2,1-2H3.
What are the key properties of (3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl butanoate?
(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl butanoate has a molecular weight of 238.31 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl butanoate is sourced from PubChem (CID 23462412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).