2-[6-(oxolan-3-yl)imidazo[2,1-b][1,3]thiazol-3-yl]acetic acid

C11H12N2O3S — CID 104752238

IUPAC2-[6-(oxolan-3-yl)imidazo[2,1-b][1,3]thiazol-3-yl]acetic acid
SMILESO=C(O)Cc1csc2nc(C3CCOC3)cn12
InChIInChI=1S/C11H12N2O3S/c14-10(15)3-8-6-17-11-12-9(4-13(8)11)7-1-2-16-5-7/h4,6-7H,1-3,5H2,(H,14,15)
InChIKeyHKRAEAJKONMXNL-UHFFFAOYSA-N
MW252.29 g/mol
LogP1.53
Rot. Bonds3

About 2-[6-(oxolan-3-yl)imidazo[2,1-b][1,3]thiazol-3-yl]acetic acid

2-[6-(oxolan-3-yl)imidazo[2,1-b][1,3]thiazol-3-yl]acetic acid (PubChem CID 104752238) has the molecular formula C11H12N2O3S and a molecular weight of 252.29 g/mol. Its IUPAC name is 2-[6-(oxolan-3-yl)imidazo[2,1-b][1,3]thiazol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[6-(oxolan-3-yl)imidazo[2,1-b][1,3]thiazol-3-yl]acetic acid
PubChem CID104752238
Molecular FormulaC11H12N2O3S
Molecular Weight252.29 g/mol
Exact Mass252.06
IUPAC Name2-[6-(oxolan-3-yl)imidazo[2,1-b][1,3]thiazol-3-yl]acetic acid
SMILESO=C(O)Cc1csc2nc(C3CCOC3)cn12
InChIInChI=1S/C11H12N2O3S/c14-10(15)3-8-6-17-11-12-9(4-13(8)11)7-1-2-16-5-7/h4,6-7H,1-3,5H2,(H,14,15)
InChIKeyHKRAEAJKONMXNL-UHFFFAOYSA-N
XLogP1.53
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(oxolan-3-yl)imidazo[2,1-b][1,3]thiazol-3-yl]acetic acid?
The IUPAC name of 2-[6-(oxolan-3-yl)imidazo[2,1-b][1,3]thiazol-3-yl]acetic acid (CID 104752238) is 2-[6-(oxolan-3-yl)imidazo[2,1-b][1,3]thiazol-3-yl]acetic acid.
What is the SMILES notation for 2-[6-(oxolan-3-yl)imidazo[2,1-b][1,3]thiazol-3-yl]acetic acid?
The canonical SMILES for 2-[6-(oxolan-3-yl)imidazo[2,1-b][1,3]thiazol-3-yl]acetic acid is O=C(O)Cc1csc2nc(C3CCOC3)cn12.
What is the InChIKey of 2-[6-(oxolan-3-yl)imidazo[2,1-b][1,3]thiazol-3-yl]acetic acid?
The InChIKey is HKRAEAJKONMXNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3S/c14-10(15)3-8-6-17-11-12-9(4-13(8)11)7-1-2-16-5-7/h4,6-7H,1-3,5H2,(H,14,15).
What are the key properties of 2-[6-(oxolan-3-yl)imidazo[2,1-b][1,3]thiazol-3-yl]acetic acid?
2-[6-(oxolan-3-yl)imidazo[2,1-b][1,3]thiazol-3-yl]acetic acid has a molecular weight of 252.29 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(oxolan-3-yl)imidazo[2,1-b][1,3]thiazol-3-yl]acetic acid is sourced from PubChem (CID 104752238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).