3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)propanoic acid

C8H10N2O2S — CID 4912967

IUPAC3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)propanoic acid
SMILESO=C(O)CCc1cn2c(n1)SCC2
InChIInChI=1S/C8H10N2O2S/c11-7(12)2-1-6-5-10-3-4-13-8(10)9-6/h5H,1-4H2,(H,11,12)
InChIKeyGTQILRGACQTHAA-UHFFFAOYSA-N
MW198.25 g/mol
LogP1.01
Rot. Bonds3

About 3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)propanoic acid

3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)propanoic acid (PubChem CID 4912967) has the molecular formula C8H10N2O2S and a molecular weight of 198.25 g/mol. Its IUPAC name is 3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)propanoic acid.

Molecular Properties

Compound Name3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)propanoic acid
PubChem CID4912967
Molecular FormulaC8H10N2O2S
Molecular Weight198.25 g/mol
Exact Mass198.05
IUPAC Name3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)propanoic acid
SMILESO=C(O)CCc1cn2c(n1)SCC2
InChIInChI=1S/C8H10N2O2S/c11-7(12)2-1-6-5-10-3-4-13-8(10)9-6/h5H,1-4H2,(H,11,12)
InChIKeyGTQILRGACQTHAA-UHFFFAOYSA-N
XLogP1.01
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.25
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)propanoic acid?
The IUPAC name of 3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)propanoic acid (CID 4912967) is 3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)propanoic acid.
What is the SMILES notation for 3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)propanoic acid?
The canonical SMILES for 3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)propanoic acid is O=C(O)CCc1cn2c(n1)SCC2.
What is the InChIKey of 3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)propanoic acid?
The InChIKey is GTQILRGACQTHAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2S/c11-7(12)2-1-6-5-10-3-4-13-8(10)9-6/h5H,1-4H2,(H,11,12).
What are the key properties of 3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)propanoic acid?
3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)propanoic acid has a molecular weight of 198.25 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)propanoic acid is sourced from PubChem (CID 4912967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).