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

C13H9F2NO2S — CID 114360248

IUPAC4-cyclopropyl-2-(3,5-difluorophenyl)-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1sc(-c2cc(F)cc(F)c2)nc1C1CC1
InChIInChI=1S/C13H9F2NO2S/c14-8-3-7(4-9(15)5-8)12-16-10(6-1-2-6)11(19-12)13(17)18/h3-6H,1-2H2,(H,17,18)
InChIKeyUUAYSPWSEXTJIR-UHFFFAOYSA-N
MW281.28 g/mol
LogP3.66
Rot. Bonds3

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

4-cyclopropyl-2-(3,5-difluorophenyl)-1,3-thiazole-5-carboxylic acid (PubChem CID 114360248) has the molecular formula C13H9F2NO2S and a molecular weight of 281.28 g/mol. Its IUPAC name is 4-cyclopropyl-2-(3,5-difluorophenyl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-cyclopropyl-2-(3,5-difluorophenyl)-1,3-thiazole-5-carboxylic acid
PubChem CID114360248
Molecular FormulaC13H9F2NO2S
Molecular Weight281.28 g/mol
Exact Mass281.03
IUPAC Name4-cyclopropyl-2-(3,5-difluorophenyl)-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1sc(-c2cc(F)cc(F)c2)nc1C1CC1
InChIInChI=1S/C13H9F2NO2S/c14-8-3-7(4-9(15)5-8)12-16-10(6-1-2-6)11(19-12)13(17)18/h3-6H,1-2H2,(H,17,18)
InChIKeyUUAYSPWSEXTJIR-UHFFFAOYSA-N
XLogP3.66
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-(3,5-difluorophenyl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-cyclopropyl-2-(3,5-difluorophenyl)-1,3-thiazole-5-carboxylic acid (CID 114360248) is 4-cyclopropyl-2-(3,5-difluorophenyl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-cyclopropyl-2-(3,5-difluorophenyl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-cyclopropyl-2-(3,5-difluorophenyl)-1,3-thiazole-5-carboxylic acid is O=C(O)c1sc(-c2cc(F)cc(F)c2)nc1C1CC1.
What is the InChIKey of 4-cyclopropyl-2-(3,5-difluorophenyl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is UUAYSPWSEXTJIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F2NO2S/c14-8-3-7(4-9(15)5-8)12-16-10(6-1-2-6)11(19-12)13(17)18/h3-6H,1-2H2,(H,17,18).
What are the key properties of 4-cyclopropyl-2-(3,5-difluorophenyl)-1,3-thiazole-5-carboxylic acid?
4-cyclopropyl-2-(3,5-difluorophenyl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 281.28 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-(3,5-difluorophenyl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 114360248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).