2-[5-(fluoromethyl)-4-methyl-1,3-thiazol-2-yl]-2-methylpropanoic acid

C9H12FNO2S — CID 84785223

IUPAC2-[5-(fluoromethyl)-4-methyl-1,3-thiazol-2-yl]-2-methylpropanoic acid
SMILESCc1nc(C(C)(C)C(=O)O)sc1CF
InChIInChI=1S/C9H12FNO2S/c1-5-6(4-10)14-7(11-5)9(2,3)8(12)13/h4H2,1-3H3,(H,12,13)
InChIKeyDWXNAGHVXPEVTD-UHFFFAOYSA-N
MW217.26 g/mol
LogP2.28
Rot. Bonds3

About 2-[5-(fluoromethyl)-4-methyl-1,3-thiazol-2-yl]-2-methylpropanoic acid

2-[5-(fluoromethyl)-4-methyl-1,3-thiazol-2-yl]-2-methylpropanoic acid (PubChem CID 84785223) has the molecular formula C9H12FNO2S and a molecular weight of 217.26 g/mol. Its IUPAC name is 2-[5-(fluoromethyl)-4-methyl-1,3-thiazol-2-yl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[5-(fluoromethyl)-4-methyl-1,3-thiazol-2-yl]-2-methylpropanoic acid
PubChem CID84785223
Molecular FormulaC9H12FNO2S
Molecular Weight217.26 g/mol
Exact Mass217.06
IUPAC Name2-[5-(fluoromethyl)-4-methyl-1,3-thiazol-2-yl]-2-methylpropanoic acid
SMILESCc1nc(C(C)(C)C(=O)O)sc1CF
InChIInChI=1S/C9H12FNO2S/c1-5-6(4-10)14-7(11-5)9(2,3)8(12)13/h4H2,1-3H3,(H,12,13)
InChIKeyDWXNAGHVXPEVTD-UHFFFAOYSA-N
XLogP2.28
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(fluoromethyl)-4-methyl-1,3-thiazol-2-yl]-2-methylpropanoic acid?
The IUPAC name of 2-[5-(fluoromethyl)-4-methyl-1,3-thiazol-2-yl]-2-methylpropanoic acid (CID 84785223) is 2-[5-(fluoromethyl)-4-methyl-1,3-thiazol-2-yl]-2-methylpropanoic acid.
What is the SMILES notation for 2-[5-(fluoromethyl)-4-methyl-1,3-thiazol-2-yl]-2-methylpropanoic acid?
The canonical SMILES for 2-[5-(fluoromethyl)-4-methyl-1,3-thiazol-2-yl]-2-methylpropanoic acid is Cc1nc(C(C)(C)C(=O)O)sc1CF.
What is the InChIKey of 2-[5-(fluoromethyl)-4-methyl-1,3-thiazol-2-yl]-2-methylpropanoic acid?
The InChIKey is DWXNAGHVXPEVTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO2S/c1-5-6(4-10)14-7(11-5)9(2,3)8(12)13/h4H2,1-3H3,(H,12,13).
What are the key properties of 2-[5-(fluoromethyl)-4-methyl-1,3-thiazol-2-yl]-2-methylpropanoic acid?
2-[5-(fluoromethyl)-4-methyl-1,3-thiazol-2-yl]-2-methylpropanoic acid has a molecular weight of 217.26 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(fluoromethyl)-4-methyl-1,3-thiazol-2-yl]-2-methylpropanoic acid is sourced from PubChem (CID 84785223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).