2-[5-(2-fluoropropan-2-yl)-1,3-thiazol-2-yl]-2-methylpropanoic acid

C10H14FNO2S — CID 84794365

IUPAC2-[5-(2-fluoropropan-2-yl)-1,3-thiazol-2-yl]-2-methylpropanoic acid
SMILESCC(C)(F)c1cnc(C(C)(C)C(=O)O)s1
InChIInChI=1S/C10H14FNO2S/c1-9(2,8(13)14)7-12-5-6(15-7)10(3,4)11/h5H,1-4H3,(H,13,14)
InChIKeyZXWOFKUJKULCNU-UHFFFAOYSA-N
MW231.29 g/mol
LogP2.71
Rot. Bonds3

About 2-[5-(2-fluoropropan-2-yl)-1,3-thiazol-2-yl]-2-methylpropanoic acid

2-[5-(2-fluoropropan-2-yl)-1,3-thiazol-2-yl]-2-methylpropanoic acid (PubChem CID 84794365) has the molecular formula C10H14FNO2S and a molecular weight of 231.29 g/mol. Its IUPAC name is 2-[5-(2-fluoropropan-2-yl)-1,3-thiazol-2-yl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[5-(2-fluoropropan-2-yl)-1,3-thiazol-2-yl]-2-methylpropanoic acid
PubChem CID84794365
Molecular FormulaC10H14FNO2S
Molecular Weight231.29 g/mol
Exact Mass231.07
IUPAC Name2-[5-(2-fluoropropan-2-yl)-1,3-thiazol-2-yl]-2-methylpropanoic acid
SMILESCC(C)(F)c1cnc(C(C)(C)C(=O)O)s1
InChIInChI=1S/C10H14FNO2S/c1-9(2,8(13)14)7-12-5-6(15-7)10(3,4)11/h5H,1-4H3,(H,13,14)
InChIKeyZXWOFKUJKULCNU-UHFFFAOYSA-N
XLogP2.71
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-fluoropropan-2-yl)-1,3-thiazol-2-yl]-2-methylpropanoic acid?
The IUPAC name of 2-[5-(2-fluoropropan-2-yl)-1,3-thiazol-2-yl]-2-methylpropanoic acid (CID 84794365) is 2-[5-(2-fluoropropan-2-yl)-1,3-thiazol-2-yl]-2-methylpropanoic acid.
What is the SMILES notation for 2-[5-(2-fluoropropan-2-yl)-1,3-thiazol-2-yl]-2-methylpropanoic acid?
The canonical SMILES for 2-[5-(2-fluoropropan-2-yl)-1,3-thiazol-2-yl]-2-methylpropanoic acid is CC(C)(F)c1cnc(C(C)(C)C(=O)O)s1.
What is the InChIKey of 2-[5-(2-fluoropropan-2-yl)-1,3-thiazol-2-yl]-2-methylpropanoic acid?
The InChIKey is ZXWOFKUJKULCNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO2S/c1-9(2,8(13)14)7-12-5-6(15-7)10(3,4)11/h5H,1-4H3,(H,13,14).
What are the key properties of 2-[5-(2-fluoropropan-2-yl)-1,3-thiazol-2-yl]-2-methylpropanoic acid?
2-[5-(2-fluoropropan-2-yl)-1,3-thiazol-2-yl]-2-methylpropanoic acid has a molecular weight of 231.29 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-fluoropropan-2-yl)-1,3-thiazol-2-yl]-2-methylpropanoic acid is sourced from PubChem (CID 84794365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).