methyl 3-(6-benzylimidazo[2,1-b][1,3]thiazol-3-yl)propanoate

C16H16N2O2S — CID 81495197

IUPACmethyl 3-(6-benzylimidazo[2,1-b][1,3]thiazol-3-yl)propanoate
SMILESCOC(=O)CCc1csc2nc(Cc3ccccc3)cn12
InChIInChI=1S/C16H16N2O2S/c1-20-15(19)8-7-14-11-21-16-17-13(10-18(14)16)9-12-5-3-2-4-6-12/h2-6,10-11H,7-9H2,1H3
InChIKeyOYBCLXVOQZJNDX-UHFFFAOYSA-N
MW300.38 g/mol
LogP3.09
Rot. Bonds5

About methyl 3-(6-benzylimidazo[2,1-b][1,3]thiazol-3-yl)propanoate

methyl 3-(6-benzylimidazo[2,1-b][1,3]thiazol-3-yl)propanoate (PubChem CID 81495197) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is methyl 3-(6-benzylimidazo[2,1-b][1,3]thiazol-3-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-(6-benzylimidazo[2,1-b][1,3]thiazol-3-yl)propanoate
PubChem CID81495197
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC Namemethyl 3-(6-benzylimidazo[2,1-b][1,3]thiazol-3-yl)propanoate
SMILESCOC(=O)CCc1csc2nc(Cc3ccccc3)cn12
InChIInChI=1S/C16H16N2O2S/c1-20-15(19)8-7-14-11-21-16-17-13(10-18(14)16)9-12-5-3-2-4-6-12/h2-6,10-11H,7-9H2,1H3
InChIKeyOYBCLXVOQZJNDX-UHFFFAOYSA-N
XLogP3.09
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(6-benzylimidazo[2,1-b][1,3]thiazol-3-yl)propanoate?
The IUPAC name of methyl 3-(6-benzylimidazo[2,1-b][1,3]thiazol-3-yl)propanoate (CID 81495197) is methyl 3-(6-benzylimidazo[2,1-b][1,3]thiazol-3-yl)propanoate.
What is the SMILES notation for methyl 3-(6-benzylimidazo[2,1-b][1,3]thiazol-3-yl)propanoate?
The canonical SMILES for methyl 3-(6-benzylimidazo[2,1-b][1,3]thiazol-3-yl)propanoate is COC(=O)CCc1csc2nc(Cc3ccccc3)cn12.
What is the InChIKey of methyl 3-(6-benzylimidazo[2,1-b][1,3]thiazol-3-yl)propanoate?
The InChIKey is OYBCLXVOQZJNDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-20-15(19)8-7-14-11-21-16-17-13(10-18(14)16)9-12-5-3-2-4-6-12/h2-6,10-11H,7-9H2,1H3.
What are the key properties of methyl 3-(6-benzylimidazo[2,1-b][1,3]thiazol-3-yl)propanoate?
methyl 3-(6-benzylimidazo[2,1-b][1,3]thiazol-3-yl)propanoate has a molecular weight of 300.38 g/mol, XLogP of 3.09, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(6-benzylimidazo[2,1-b][1,3]thiazol-3-yl)propanoate is sourced from PubChem (CID 81495197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).