2-(2-chloro-1,3-thiazol-4-yl)-2-fluorohexanoic acid

C9H11ClFNO2S — CID 177003272

IUPAC2-(2-chloro-1,3-thiazol-4-yl)-2-fluorohexanoic acid
SMILESCCCCC(F)(C(=O)O)c1csc(Cl)n1
InChIInChI=1S/C9H11ClFNO2S/c1-2-3-4-9(11,7(13)14)6-5-15-8(10)12-6/h5H,2-4H2,1H3,(H,13,14)
InChIKeyFYYHPJSJIVJIRC-UHFFFAOYSA-N
MW251.71 g/mol
LogP3.24
Rot. Bonds5

About 2-(2-chloro-1,3-thiazol-4-yl)-2-fluorohexanoic acid

2-(2-chloro-1,3-thiazol-4-yl)-2-fluorohexanoic acid (PubChem CID 177003272) has the molecular formula C9H11ClFNO2S and a molecular weight of 251.71 g/mol. Its IUPAC name is 2-(2-chloro-1,3-thiazol-4-yl)-2-fluorohexanoic acid.

Molecular Properties

Compound Name2-(2-chloro-1,3-thiazol-4-yl)-2-fluorohexanoic acid
PubChem CID177003272
Molecular FormulaC9H11ClFNO2S
Molecular Weight251.71 g/mol
Exact Mass251.02
IUPAC Name2-(2-chloro-1,3-thiazol-4-yl)-2-fluorohexanoic acid
SMILESCCCCC(F)(C(=O)O)c1csc(Cl)n1
InChIInChI=1S/C9H11ClFNO2S/c1-2-3-4-9(11,7(13)14)6-5-15-8(10)12-6/h5H,2-4H2,1H3,(H,13,14)
InChIKeyFYYHPJSJIVJIRC-UHFFFAOYSA-N
XLogP3.24
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.71
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-chloro-1,3-thiazol-4-yl)-2-fluorohexanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-1,3-thiazol-4-yl)-2-fluorohexanoic acid?
The IUPAC name of 2-(2-chloro-1,3-thiazol-4-yl)-2-fluorohexanoic acid (CID 177003272) is 2-(2-chloro-1,3-thiazol-4-yl)-2-fluorohexanoic acid.
What is the SMILES notation for 2-(2-chloro-1,3-thiazol-4-yl)-2-fluorohexanoic acid?
The canonical SMILES for 2-(2-chloro-1,3-thiazol-4-yl)-2-fluorohexanoic acid is CCCCC(F)(C(=O)O)c1csc(Cl)n1.
What is the InChIKey of 2-(2-chloro-1,3-thiazol-4-yl)-2-fluorohexanoic acid?
The InChIKey is FYYHPJSJIVJIRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClFNO2S/c1-2-3-4-9(11,7(13)14)6-5-15-8(10)12-6/h5H,2-4H2,1H3,(H,13,14).
What are the key properties of 2-(2-chloro-1,3-thiazol-4-yl)-2-fluorohexanoic acid?
2-(2-chloro-1,3-thiazol-4-yl)-2-fluorohexanoic acid has a molecular weight of 251.71 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-1,3-thiazol-4-yl)-2-fluorohexanoic acid is sourced from PubChem (CID 177003272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).