2-(4-fluoro-3-hydroxyphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid

C10H8FNO3S — CID 171374420

IUPAC2-(4-fluoro-3-hydroxyphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)C1CSC(c2ccc(F)c(O)c2)=N1
InChIInChI=1S/C10H8FNO3S/c11-6-2-1-5(3-8(6)13)9-12-7(4-16-9)10(14)15/h1-3,7,13H,4H2,(H,14,15)
InChIKeyYCUODUDWNUNKLX-UHFFFAOYSA-N
MW241.24 g/mol
LogP1.48
Rot. Bonds2

About 2-(4-fluoro-3-hydroxyphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid

2-(4-fluoro-3-hydroxyphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid (PubChem CID 171374420) has the molecular formula C10H8FNO3S and a molecular weight of 241.24 g/mol. Its IUPAC name is 2-(4-fluoro-3-hydroxyphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(4-fluoro-3-hydroxyphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid
PubChem CID171374420
Molecular FormulaC10H8FNO3S
Molecular Weight241.24 g/mol
Exact Mass241.02
IUPAC Name2-(4-fluoro-3-hydroxyphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)C1CSC(c2ccc(F)c(O)c2)=N1
InChIInChI=1S/C10H8FNO3S/c11-6-2-1-5(3-8(6)13)9-12-7(4-16-9)10(14)15/h1-3,7,13H,4H2,(H,14,15)
InChIKeyYCUODUDWNUNKLX-UHFFFAOYSA-N
XLogP1.48
TPSA69.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-3-hydroxyphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-(4-fluoro-3-hydroxyphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid (CID 171374420) is 2-(4-fluoro-3-hydroxyphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-(4-fluoro-3-hydroxyphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-(4-fluoro-3-hydroxyphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid is O=C(O)C1CSC(c2ccc(F)c(O)c2)=N1.
What is the InChIKey of 2-(4-fluoro-3-hydroxyphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid?
The InChIKey is YCUODUDWNUNKLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FNO3S/c11-6-2-1-5(3-8(6)13)9-12-7(4-16-9)10(14)15/h1-3,7,13H,4H2,(H,14,15).
What are the key properties of 2-(4-fluoro-3-hydroxyphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid?
2-(4-fluoro-3-hydroxyphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid has a molecular weight of 241.24 g/mol, XLogP of 1.48, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-3-hydroxyphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 171374420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).