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

C10H9FN2O2S — CID 79726807

IUPAC3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-2-fluoroprop-2-enoic acid
SMILESCc1cn2c(C=C(F)C(=O)O)c(C)nc2s1
InChIInChI=1S/C10H9FN2O2S/c1-5-4-13-8(3-7(11)9(14)15)6(2)12-10(13)16-5/h3-4H,1-2H3,(H,14,15)
InChIKeyFXCUUAFASKFQTH-UHFFFAOYSA-N
MW240.26 g/mol
LogP2.41
Rot. Bonds2

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

3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-2-fluoroprop-2-enoic acid (PubChem CID 79726807) has the molecular formula C10H9FN2O2S and a molecular weight of 240.26 g/mol. Its IUPAC name is 3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-2-fluoroprop-2-enoic acid.

Molecular Properties

Compound Name3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-2-fluoroprop-2-enoic acid
PubChem CID79726807
Molecular FormulaC10H9FN2O2S
Molecular Weight240.26 g/mol
Exact Mass240.04
IUPAC Name3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-2-fluoroprop-2-enoic acid
SMILESCc1cn2c(C=C(F)C(=O)O)c(C)nc2s1
InChIInChI=1S/C10H9FN2O2S/c1-5-4-13-8(3-7(11)9(14)15)6(2)12-10(13)16-5/h3-4H,1-2H3,(H,14,15)
InChIKeyFXCUUAFASKFQTH-UHFFFAOYSA-N
XLogP2.41
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 52.41
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 3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-2-fluoroprop-2-enoic acid?
The IUPAC name of 3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-2-fluoroprop-2-enoic acid (CID 79726807) is 3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-2-fluoroprop-2-enoic acid.
What is the SMILES notation for 3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-2-fluoroprop-2-enoic acid?
The canonical SMILES for 3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-2-fluoroprop-2-enoic acid is Cc1cn2c(C=C(F)C(=O)O)c(C)nc2s1.
What is the InChIKey of 3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-2-fluoroprop-2-enoic acid?
The InChIKey is FXCUUAFASKFQTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O2S/c1-5-4-13-8(3-7(11)9(14)15)6(2)12-10(13)16-5/h3-4H,1-2H3,(H,14,15).
What are the key properties of 3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-2-fluoroprop-2-enoic acid?
3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-2-fluoroprop-2-enoic acid has a molecular weight of 240.26 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-2-fluoroprop-2-enoic acid is sourced from PubChem (CID 79726807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).