2-(fluoromethyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid

C7H5FN2O2S — CID 130373527

IUPAC2-(fluoromethyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid
SMILESO=C(O)c1cn2cc(CF)sc2n1
InChIInChI=1S/C7H5FN2O2S/c8-1-4-2-10-3-5(6(11)12)9-7(10)13-4/h2-3H,1H2,(H,11,12)
InChIKeyCHMPDGISLAZJQR-UHFFFAOYSA-N
MW200.19 g/mol
LogP1.56
Rot. Bonds2

About 2-(fluoromethyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid

2-(fluoromethyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid (PubChem CID 130373527) has the molecular formula C7H5FN2O2S and a molecular weight of 200.19 g/mol. Its IUPAC name is 2-(fluoromethyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid.

Molecular Properties

Compound Name2-(fluoromethyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid
PubChem CID130373527
Molecular FormulaC7H5FN2O2S
Molecular Weight200.19 g/mol
Exact Mass200.01
IUPAC Name2-(fluoromethyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid
SMILESO=C(O)c1cn2cc(CF)sc2n1
InChIInChI=1S/C7H5FN2O2S/c8-1-4-2-10-3-5(6(11)12)9-7(10)13-4/h2-3H,1H2,(H,11,12)
InChIKeyCHMPDGISLAZJQR-UHFFFAOYSA-N
XLogP1.56
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.19
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(fluoromethyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid?
The IUPAC name of 2-(fluoromethyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid (CID 130373527) is 2-(fluoromethyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid.
What is the SMILES notation for 2-(fluoromethyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid?
The canonical SMILES for 2-(fluoromethyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid is O=C(O)c1cn2cc(CF)sc2n1.
What is the InChIKey of 2-(fluoromethyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid?
The InChIKey is CHMPDGISLAZJQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5FN2O2S/c8-1-4-2-10-3-5(6(11)12)9-7(10)13-4/h2-3H,1H2,(H,11,12).
What are the key properties of 2-(fluoromethyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid?
2-(fluoromethyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid has a molecular weight of 200.19 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid is sourced from PubChem (CID 130373527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).