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

C13H12FNO2S — CID 83970111

IUPAC2-[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]acetic acid
SMILESCc1nc(CC(=O)O)sc1Cc1ccc(F)cc1
InChIInChI=1S/C13H12FNO2S/c1-8-11(18-12(15-8)7-13(16)17)6-9-2-4-10(14)5-3-9/h2-5H,6-7H2,1H3,(H,16,17)
InChIKeyYFTDYOFZQVMFFC-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.81
Rot. Bonds4

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

2-[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]acetic acid (PubChem CID 83970111) has the molecular formula C13H12FNO2S and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]acetic acid
PubChem CID83970111
Molecular FormulaC13H12FNO2S
Molecular Weight265.31 g/mol
Exact Mass265.06
IUPAC Name2-[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]acetic acid
SMILESCc1nc(CC(=O)O)sc1Cc1ccc(F)cc1
InChIInChI=1S/C13H12FNO2S/c1-8-11(18-12(15-8)7-13(16)17)6-9-2-4-10(14)5-3-9/h2-5H,6-7H2,1H3,(H,16,17)
InChIKeyYFTDYOFZQVMFFC-UHFFFAOYSA-N
XLogP2.81
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]acetic acid?
The IUPAC name of 2-[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]acetic acid (CID 83970111) is 2-[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]acetic acid.
What is the SMILES notation for 2-[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]acetic acid?
The canonical SMILES for 2-[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]acetic acid is Cc1nc(CC(=O)O)sc1Cc1ccc(F)cc1.
What is the InChIKey of 2-[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]acetic acid?
The InChIKey is YFTDYOFZQVMFFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO2S/c1-8-11(18-12(15-8)7-13(16)17)6-9-2-4-10(14)5-3-9/h2-5H,6-7H2,1H3,(H,16,17).
What are the key properties of 2-[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]acetic acid?
2-[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]acetic acid has a molecular weight of 265.31 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]acetic acid is sourced from PubChem (CID 83970111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).