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

C11H7F2NO2S — CID 43658691

IUPAC2-(3,4-difluorophenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(-c2ccc(F)c(F)c2)sc1C(=O)O
InChIInChI=1S/C11H7F2NO2S/c1-5-9(11(15)16)17-10(14-5)6-2-3-7(12)8(13)4-6/h2-4H,1H3,(H,15,16)
InChIKeyVJGGFJCKKIOYDW-UHFFFAOYSA-N
MW255.24 g/mol
LogP3.09
Rot. Bonds2

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

2-(3,4-difluorophenyl)-4-methyl-1,3-thiazole-5-carboxylic acid (PubChem CID 43658691) has the molecular formula C11H7F2NO2S and a molecular weight of 255.24 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-4-methyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
PubChem CID43658691
Molecular FormulaC11H7F2NO2S
Molecular Weight255.24 g/mol
Exact Mass255.02
IUPAC Name2-(3,4-difluorophenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(-c2ccc(F)c(F)c2)sc1C(=O)O
InChIInChI=1S/C11H7F2NO2S/c1-5-9(11(15)16)17-10(14-5)6-2-3-7(12)8(13)4-6/h2-4H,1H3,(H,15,16)
InChIKeyVJGGFJCKKIOYDW-UHFFFAOYSA-N
XLogP3.09
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-4-methyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(3,4-difluorophenyl)-4-methyl-1,3-thiazole-5-carboxylic acid (CID 43658691) is 2-(3,4-difluorophenyl)-4-methyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(3,4-difluorophenyl)-4-methyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(3,4-difluorophenyl)-4-methyl-1,3-thiazole-5-carboxylic acid is Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)O.
What is the InChIKey of 2-(3,4-difluorophenyl)-4-methyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is VJGGFJCKKIOYDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F2NO2S/c1-5-9(11(15)16)17-10(14-5)6-2-3-7(12)8(13)4-6/h2-4H,1H3,(H,15,16).
What are the key properties of 2-(3,4-difluorophenyl)-4-methyl-1,3-thiazole-5-carboxylic acid?
2-(3,4-difluorophenyl)-4-methyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 255.24 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-4-methyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 43658691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).