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

C10H14FNO2S — CID 84794370

IUPAC3-[2-(2-fluoropropan-2-yl)-1,3-thiazol-5-yl]-2-methylpropanoic acid
SMILESCC(Cc1cnc(C(C)(C)F)s1)C(=O)O
InChIInChI=1S/C10H14FNO2S/c1-6(8(13)14)4-7-5-12-9(15-7)10(2,3)11/h5-6H,4H2,1-3H3,(H,13,14)
InChIKeyNKCQESGZUDJAGA-UHFFFAOYSA-N
MW231.29 g/mol
LogP2.61
Rot. Bonds4

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

3-[2-(2-fluoropropan-2-yl)-1,3-thiazol-5-yl]-2-methylpropanoic acid (PubChem CID 84794370) has the molecular formula C10H14FNO2S and a molecular weight of 231.29 g/mol. Its IUPAC name is 3-[2-(2-fluoropropan-2-yl)-1,3-thiazol-5-yl]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[2-(2-fluoropropan-2-yl)-1,3-thiazol-5-yl]-2-methylpropanoic acid
PubChem CID84794370
Molecular FormulaC10H14FNO2S
Molecular Weight231.29 g/mol
Exact Mass231.07
IUPAC Name3-[2-(2-fluoropropan-2-yl)-1,3-thiazol-5-yl]-2-methylpropanoic acid
SMILESCC(Cc1cnc(C(C)(C)F)s1)C(=O)O
InChIInChI=1S/C10H14FNO2S/c1-6(8(13)14)4-7-5-12-9(15-7)10(2,3)11/h5-6H,4H2,1-3H3,(H,13,14)
InChIKeyNKCQESGZUDJAGA-UHFFFAOYSA-N
XLogP2.61
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-fluoropropan-2-yl)-1,3-thiazol-5-yl]-2-methylpropanoic acid?
The IUPAC name of 3-[2-(2-fluoropropan-2-yl)-1,3-thiazol-5-yl]-2-methylpropanoic acid (CID 84794370) is 3-[2-(2-fluoropropan-2-yl)-1,3-thiazol-5-yl]-2-methylpropanoic acid.
What is the SMILES notation for 3-[2-(2-fluoropropan-2-yl)-1,3-thiazol-5-yl]-2-methylpropanoic acid?
The canonical SMILES for 3-[2-(2-fluoropropan-2-yl)-1,3-thiazol-5-yl]-2-methylpropanoic acid is CC(Cc1cnc(C(C)(C)F)s1)C(=O)O.
What is the InChIKey of 3-[2-(2-fluoropropan-2-yl)-1,3-thiazol-5-yl]-2-methylpropanoic acid?
The InChIKey is NKCQESGZUDJAGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO2S/c1-6(8(13)14)4-7-5-12-9(15-7)10(2,3)11/h5-6H,4H2,1-3H3,(H,13,14).
What are the key properties of 3-[2-(2-fluoropropan-2-yl)-1,3-thiazol-5-yl]-2-methylpropanoic acid?
3-[2-(2-fluoropropan-2-yl)-1,3-thiazol-5-yl]-2-methylpropanoic acid has a molecular weight of 231.29 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-fluoropropan-2-yl)-1,3-thiazol-5-yl]-2-methylpropanoic acid is sourced from PubChem (CID 84794370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).