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

C9H12N2O2S — CID 83885795

IUPAC4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)butanoic acid
SMILESO=C(O)CCCc1cn2c(n1)SCC2
InChIInChI=1S/C9H12N2O2S/c12-8(13)3-1-2-7-6-11-4-5-14-9(11)10-7/h6H,1-5H2,(H,12,13)
InChIKeyBMLLCSDAUSPYQK-UHFFFAOYSA-N
MW212.27 g/mol
LogP1.40
Rot. Bonds4

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

4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)butanoic acid (PubChem CID 83885795) has the molecular formula C9H12N2O2S and a molecular weight of 212.27 g/mol. Its IUPAC name is 4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)butanoic acid.

Molecular Properties

Compound Name4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)butanoic acid
PubChem CID83885795
Molecular FormulaC9H12N2O2S
Molecular Weight212.27 g/mol
Exact Mass212.06
IUPAC Name4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)butanoic acid
SMILESO=C(O)CCCc1cn2c(n1)SCC2
InChIInChI=1S/C9H12N2O2S/c12-8(13)3-1-2-7-6-11-4-5-14-9(11)10-7/h6H,1-5H2,(H,12,13)
InChIKeyBMLLCSDAUSPYQK-UHFFFAOYSA-N
XLogP1.40
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)butanoic acid?
The IUPAC name of 4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)butanoic acid (CID 83885795) is 4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)butanoic acid.
What is the SMILES notation for 4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)butanoic acid?
The canonical SMILES for 4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)butanoic acid is O=C(O)CCCc1cn2c(n1)SCC2.
What is the InChIKey of 4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)butanoic acid?
The InChIKey is BMLLCSDAUSPYQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2S/c12-8(13)3-1-2-7-6-11-4-5-14-9(11)10-7/h6H,1-5H2,(H,12,13).
What are the key properties of 4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)butanoic acid?
4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)butanoic acid has a molecular weight of 212.27 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)butanoic acid is sourced from PubChem (CID 83885795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).