4-(5,6-dimethylimidazo[2,1-b][1,3]thiazol-3-yl)butanoic acid

C11H14N2O2S — CID 80661611

IUPAC4-(5,6-dimethylimidazo[2,1-b][1,3]thiazol-3-yl)butanoic acid
SMILESCc1nc2scc(CCCC(=O)O)n2c1C
InChIInChI=1S/C11H14N2O2S/c1-7-8(2)13-9(4-3-5-10(14)15)6-16-11(13)12-7/h6H,3-5H2,1-2H3,(H,14,15)
InChIKeyURWZDUVBSPJUGZ-UHFFFAOYSA-N
MW238.31 g/mol
LogP2.42
Rot. Bonds4

About 4-(5,6-dimethylimidazo[2,1-b][1,3]thiazol-3-yl)butanoic acid

4-(5,6-dimethylimidazo[2,1-b][1,3]thiazol-3-yl)butanoic acid (PubChem CID 80661611) has the molecular formula C11H14N2O2S and a molecular weight of 238.31 g/mol. Its IUPAC name is 4-(5,6-dimethylimidazo[2,1-b][1,3]thiazol-3-yl)butanoic acid.

Molecular Properties

Compound Name4-(5,6-dimethylimidazo[2,1-b][1,3]thiazol-3-yl)butanoic acid
PubChem CID80661611
Molecular FormulaC11H14N2O2S
Molecular Weight238.31 g/mol
Exact Mass238.08
IUPAC Name4-(5,6-dimethylimidazo[2,1-b][1,3]thiazol-3-yl)butanoic acid
SMILESCc1nc2scc(CCCC(=O)O)n2c1C
InChIInChI=1S/C11H14N2O2S/c1-7-8(2)13-9(4-3-5-10(14)15)6-16-11(13)12-7/h6H,3-5H2,1-2H3,(H,14,15)
InChIKeyURWZDUVBSPJUGZ-UHFFFAOYSA-N
XLogP2.42
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5,6-dimethylimidazo[2,1-b][1,3]thiazol-3-yl)butanoic acid?
The IUPAC name of 4-(5,6-dimethylimidazo[2,1-b][1,3]thiazol-3-yl)butanoic acid (CID 80661611) is 4-(5,6-dimethylimidazo[2,1-b][1,3]thiazol-3-yl)butanoic acid.
What is the SMILES notation for 4-(5,6-dimethylimidazo[2,1-b][1,3]thiazol-3-yl)butanoic acid?
The canonical SMILES for 4-(5,6-dimethylimidazo[2,1-b][1,3]thiazol-3-yl)butanoic acid is Cc1nc2scc(CCCC(=O)O)n2c1C.
What is the InChIKey of 4-(5,6-dimethylimidazo[2,1-b][1,3]thiazol-3-yl)butanoic acid?
The InChIKey is URWZDUVBSPJUGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2S/c1-7-8(2)13-9(4-3-5-10(14)15)6-16-11(13)12-7/h6H,3-5H2,1-2H3,(H,14,15).
What are the key properties of 4-(5,6-dimethylimidazo[2,1-b][1,3]thiazol-3-yl)butanoic acid?
4-(5,6-dimethylimidazo[2,1-b][1,3]thiazol-3-yl)butanoic acid has a molecular weight of 238.31 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,6-dimethylimidazo[2,1-b][1,3]thiazol-3-yl)butanoic acid is sourced from PubChem (CID 80661611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).