2-fluoro-3-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoic acid

C9H7FN2O2S — CID 79725931

IUPAC2-fluoro-3-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoic acid
SMILESCc1nc2sccn2c1C=C(F)C(=O)O
InChIInChI=1S/C9H7FN2O2S/c1-5-7(4-6(10)8(13)14)12-2-3-15-9(12)11-5/h2-4H,1H3,(H,13,14)
InChIKeyUBDSUXYYFPMCAD-UHFFFAOYSA-N
MW226.23 g/mol
LogP2.10
Rot. Bonds2

About 2-fluoro-3-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoic acid

2-fluoro-3-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoic acid (PubChem CID 79725931) has the molecular formula C9H7FN2O2S and a molecular weight of 226.23 g/mol. Its IUPAC name is 2-fluoro-3-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoic acid.

Molecular Properties

Compound Name2-fluoro-3-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoic acid
PubChem CID79725931
Molecular FormulaC9H7FN2O2S
Molecular Weight226.23 g/mol
Exact Mass226.02
IUPAC Name2-fluoro-3-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoic acid
SMILESCc1nc2sccn2c1C=C(F)C(=O)O
InChIInChI=1S/C9H7FN2O2S/c1-5-7(4-6(10)8(13)14)12-2-3-15-9(12)11-5/h2-4H,1H3,(H,13,14)
InChIKeyUBDSUXYYFPMCAD-UHFFFAOYSA-N
XLogP2.10
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoic acid?
The IUPAC name of 2-fluoro-3-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoic acid (CID 79725931) is 2-fluoro-3-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoic acid.
What is the SMILES notation for 2-fluoro-3-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoic acid?
The canonical SMILES for 2-fluoro-3-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoic acid is Cc1nc2sccn2c1C=C(F)C(=O)O.
What is the InChIKey of 2-fluoro-3-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoic acid?
The InChIKey is UBDSUXYYFPMCAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN2O2S/c1-5-7(4-6(10)8(13)14)12-2-3-15-9(12)11-5/h2-4H,1H3,(H,13,14).
What are the key properties of 2-fluoro-3-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoic acid?
2-fluoro-3-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoic acid has a molecular weight of 226.23 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoic acid is sourced from PubChem (CID 79725931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).