2-[2-(4-fluoro-2-methylphenyl)-1,3-thiazol-4-yl]-2-methylpropanoic acid

C14H14FNO2S — CID 99604658

IUPAC2-[2-(4-fluoro-2-methylphenyl)-1,3-thiazol-4-yl]-2-methylpropanoic acid
SMILESCc1cc(F)ccc1-c1nc(C(C)(C)C(=O)O)cs1
InChIInChI=1S/C14H14FNO2S/c1-8-6-9(15)4-5-10(8)12-16-11(7-19-12)14(2,3)13(17)18/h4-7H,1-3H3,(H,17,18)
InChIKeyZBWOJSJXEMASGM-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.62
Rot. Bonds3

About 2-[2-(4-fluoro-2-methylphenyl)-1,3-thiazol-4-yl]-2-methylpropanoic acid

2-[2-(4-fluoro-2-methylphenyl)-1,3-thiazol-4-yl]-2-methylpropanoic acid (PubChem CID 99604658) has the molecular formula C14H14FNO2S and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-[2-(4-fluoro-2-methylphenyl)-1,3-thiazol-4-yl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[2-(4-fluoro-2-methylphenyl)-1,3-thiazol-4-yl]-2-methylpropanoic acid
PubChem CID99604658
Molecular FormulaC14H14FNO2S
Molecular Weight279.34 g/mol
Exact Mass279.07
IUPAC Name2-[2-(4-fluoro-2-methylphenyl)-1,3-thiazol-4-yl]-2-methylpropanoic acid
SMILESCc1cc(F)ccc1-c1nc(C(C)(C)C(=O)O)cs1
InChIInChI=1S/C14H14FNO2S/c1-8-6-9(15)4-5-10(8)12-16-11(7-19-12)14(2,3)13(17)18/h4-7H,1-3H3,(H,17,18)
InChIKeyZBWOJSJXEMASGM-UHFFFAOYSA-N
XLogP3.62
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluoro-2-methylphenyl)-1,3-thiazol-4-yl]-2-methylpropanoic acid?
The IUPAC name of 2-[2-(4-fluoro-2-methylphenyl)-1,3-thiazol-4-yl]-2-methylpropanoic acid (CID 99604658) is 2-[2-(4-fluoro-2-methylphenyl)-1,3-thiazol-4-yl]-2-methylpropanoic acid.
What is the SMILES notation for 2-[2-(4-fluoro-2-methylphenyl)-1,3-thiazol-4-yl]-2-methylpropanoic acid?
The canonical SMILES for 2-[2-(4-fluoro-2-methylphenyl)-1,3-thiazol-4-yl]-2-methylpropanoic acid is Cc1cc(F)ccc1-c1nc(C(C)(C)C(=O)O)cs1.
What is the InChIKey of 2-[2-(4-fluoro-2-methylphenyl)-1,3-thiazol-4-yl]-2-methylpropanoic acid?
The InChIKey is ZBWOJSJXEMASGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO2S/c1-8-6-9(15)4-5-10(8)12-16-11(7-19-12)14(2,3)13(17)18/h4-7H,1-3H3,(H,17,18).
What are the key properties of 2-[2-(4-fluoro-2-methylphenyl)-1,3-thiazol-4-yl]-2-methylpropanoic acid?
2-[2-(4-fluoro-2-methylphenyl)-1,3-thiazol-4-yl]-2-methylpropanoic acid has a molecular weight of 279.34 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluoro-2-methylphenyl)-1,3-thiazol-4-yl]-2-methylpropanoic acid is sourced from PubChem (CID 99604658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).