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

C13H11F2NO2S — CID 83970138

IUPAC2-[5-[(2,5-difluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]acetic acid
SMILESCc1nc(CC(=O)O)sc1Cc1cc(F)ccc1F
InChIInChI=1S/C13H11F2NO2S/c1-7-11(19-12(16-7)6-13(17)18)5-8-4-9(14)2-3-10(8)15/h2-4H,5-6H2,1H3,(H,17,18)
InChIKeyWDVLZZSAZWCLIG-UHFFFAOYSA-N
MW283.30 g/mol
LogP2.95
Rot. Bonds4

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

2-[5-[(2,5-difluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]acetic acid (PubChem CID 83970138) has the molecular formula C13H11F2NO2S and a molecular weight of 283.30 g/mol. Its IUPAC name is 2-[5-[(2,5-difluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5-[(2,5-difluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]acetic acid
PubChem CID83970138
Molecular FormulaC13H11F2NO2S
Molecular Weight283.30 g/mol
Exact Mass283.05
IUPAC Name2-[5-[(2,5-difluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]acetic acid
SMILESCc1nc(CC(=O)O)sc1Cc1cc(F)ccc1F
InChIInChI=1S/C13H11F2NO2S/c1-7-11(19-12(16-7)6-13(17)18)5-8-4-9(14)2-3-10(8)15/h2-4H,5-6H2,1H3,(H,17,18)
InChIKeyWDVLZZSAZWCLIG-UHFFFAOYSA-N
XLogP2.95
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]acetic acid
CID 83970111
2-[(2,5-difluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 68882074
[5-[(2,4-difluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methanamine
CID 82054678
2-[5-[(2,4-difluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]ethanamine
CID 82054751
2-[5-[(4-carbamoylphenyl)methyl]-4-methyl-1,3-thiazol-2-yl]acetic acid
CID 83970097
2-[2-(2,5-difluoroanilino)-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 82065142
2-[2-[(3,4-dimethylphenyl)methyl]-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 64662495
1-[2-(2,5-difluorophenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-one
CID 116886434
2-[2-(2,4-difluoroanilino)-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 82065143
2-[2-[(2,5-dimethylphenyl)methyl]-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 82093695
2-[(2,5-difluorophenyl)methyl]-1,3-thiazole-4-carboxylic acid
CID 82482171
2-[2-[(5-fluoro-2-methylphenyl)methylsulfanyl]-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 105369882

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(2,5-difluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]acetic acid?
The IUPAC name of 2-[5-[(2,5-difluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]acetic acid (CID 83970138) is 2-[5-[(2,5-difluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]acetic acid.
What is the SMILES notation for 2-[5-[(2,5-difluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]acetic acid?
The canonical SMILES for 2-[5-[(2,5-difluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]acetic acid is Cc1nc(CC(=O)O)sc1Cc1cc(F)ccc1F.
What is the InChIKey of 2-[5-[(2,5-difluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]acetic acid?
The InChIKey is WDVLZZSAZWCLIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2NO2S/c1-7-11(19-12(16-7)6-13(17)18)5-8-4-9(14)2-3-10(8)15/h2-4H,5-6H2,1H3,(H,17,18).
What are the key properties of 2-[5-[(2,5-difluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]acetic acid?
2-[5-[(2,5-difluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]acetic acid has a molecular weight of 283.30 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(2,5-difluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]acetic acid is sourced from PubChem (CID 83970138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).