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

C7H8FNO2S — CID 84771005

IUPAC2-[5-(fluoromethyl)-4-methyl-1,3-thiazol-2-yl]acetic acid
SMILESCc1nc(CC(=O)O)sc1CF
InChIInChI=1S/C7H8FNO2S/c1-4-5(3-8)12-6(9-4)2-7(10)11/h2-3H2,1H3,(H,10,11)
InChIKeyMYYHEKSOQXZZPI-UHFFFAOYSA-N
MW189.21 g/mol
LogP1.55
Rot. Bonds3

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

2-[5-(fluoromethyl)-4-methyl-1,3-thiazol-2-yl]acetic acid (PubChem CID 84771005) has the molecular formula C7H8FNO2S and a molecular weight of 189.21 g/mol. Its IUPAC name is 2-[5-(fluoromethyl)-4-methyl-1,3-thiazol-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(fluoromethyl)-4-methyl-1,3-thiazol-2-yl]acetic acid
PubChem CID84771005
Molecular FormulaC7H8FNO2S
Molecular Weight189.21 g/mol
Exact Mass189.03
IUPAC Name2-[5-(fluoromethyl)-4-methyl-1,3-thiazol-2-yl]acetic acid
SMILESCc1nc(CC(=O)O)sc1CF
InChIInChI=1S/C7H8FNO2S/c1-4-5(3-8)12-6(9-4)2-7(10)11/h2-3H2,1H3,(H,10,11)
InChIKeyMYYHEKSOQXZZPI-UHFFFAOYSA-N
XLogP1.55
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 51.55
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]acetic acid?
The IUPAC name of 2-[5-(fluoromethyl)-4-methyl-1,3-thiazol-2-yl]acetic acid (CID 84771005) is 2-[5-(fluoromethyl)-4-methyl-1,3-thiazol-2-yl]acetic acid.
What is the SMILES notation for 2-[5-(fluoromethyl)-4-methyl-1,3-thiazol-2-yl]acetic acid?
The canonical SMILES for 2-[5-(fluoromethyl)-4-methyl-1,3-thiazol-2-yl]acetic acid is Cc1nc(CC(=O)O)sc1CF.
What is the InChIKey of 2-[5-(fluoromethyl)-4-methyl-1,3-thiazol-2-yl]acetic acid?
The InChIKey is MYYHEKSOQXZZPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FNO2S/c1-4-5(3-8)12-6(9-4)2-7(10)11/h2-3H2,1H3,(H,10,11).
What are the key properties of 2-[5-(fluoromethyl)-4-methyl-1,3-thiazol-2-yl]acetic acid?
2-[5-(fluoromethyl)-4-methyl-1,3-thiazol-2-yl]acetic acid has a molecular weight of 189.21 g/mol, XLogP of 1.55, 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]acetic acid is sourced from PubChem (CID 84771005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).