2-[(2,5-difluorophenyl)methyl]-1,3-thiazole-4-carboxylic acid

C11H7F2NO2S — CID 82482171

IUPAC2-[(2,5-difluorophenyl)methyl]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(Cc2cc(F)ccc2F)n1
InChIInChI=1S/C11H7F2NO2S/c12-7-1-2-8(13)6(3-7)4-10-14-9(5-17-10)11(15)16/h1-3,5H,4H2,(H,15,16)
InChIKeyKDUXHUYSZDZKDA-UHFFFAOYSA-N
MW255.24 g/mol
LogP2.71
Rot. Bonds3

About 2-[(2,5-difluorophenyl)methyl]-1,3-thiazole-4-carboxylic acid

2-[(2,5-difluorophenyl)methyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 82482171) has the molecular formula C11H7F2NO2S and a molecular weight of 255.24 g/mol. Its IUPAC name is 2-[(2,5-difluorophenyl)methyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[(2,5-difluorophenyl)methyl]-1,3-thiazole-4-carboxylic acid
PubChem CID82482171
Molecular FormulaC11H7F2NO2S
Molecular Weight255.24 g/mol
Exact Mass255.02
IUPAC Name2-[(2,5-difluorophenyl)methyl]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(Cc2cc(F)ccc2F)n1
InChIInChI=1S/C11H7F2NO2S/c12-7-1-2-8(13)6(3-7)4-10-14-9(5-17-10)11(15)16/h1-3,5H,4H2,(H,15,16)
InChIKeyKDUXHUYSZDZKDA-UHFFFAOYSA-N
XLogP2.71
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-[(2-fluorophenyl)methoxy]-5-methylphenyl]methyl]-1,3-thiazole-4-carboxylic acid
CID 59786241
2-[(3,4-dimethylphenyl)methyl]-1,3-thiazole-4-carboxylic acid
CID 62900341
2-[[2-[(4-fluorophenyl)methoxy]-5-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxylic acid
CID 11979192
2-benzyl-1,3-thiazole-4-carboxylic acid;ethane
CID 91419300
2-[3-[2-(2,3-dimethoxyphenoxy)-5-fluorophenyl]-2-oxopropyl]-1,3-thiazole-4-carboxylic acid
CID 58541411
2-benzyl-N-(2,4-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 38764761
2-[2-[(2-amino-5-fluorobenzoyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66374408
2-[[(3-fluorophenyl)methylcarbamoylamino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66381509
2-[[(2-chloro-4-fluorophenyl)sulfonylamino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66379522
2-[2-[(3-fluorobenzoyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66375392
2-[(2,5-difluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 68882074
2-[5-[(2,5-difluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]acetic acid
CID 83970138

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-difluorophenyl)methyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[(2,5-difluorophenyl)methyl]-1,3-thiazole-4-carboxylic acid (CID 82482171) is 2-[(2,5-difluorophenyl)methyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[(2,5-difluorophenyl)methyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[(2,5-difluorophenyl)methyl]-1,3-thiazole-4-carboxylic acid is O=C(O)c1csc(Cc2cc(F)ccc2F)n1.
What is the InChIKey of 2-[(2,5-difluorophenyl)methyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is KDUXHUYSZDZKDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F2NO2S/c12-7-1-2-8(13)6(3-7)4-10-14-9(5-17-10)11(15)16/h1-3,5H,4H2,(H,15,16).
What are the key properties of 2-[(2,5-difluorophenyl)methyl]-1,3-thiazole-4-carboxylic acid?
2-[(2,5-difluorophenyl)methyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 255.24 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-difluorophenyl)methyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 82482171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).