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

C10H8FNO3S — CID 171374428

IUPAC2-(3-fluoro-5-hydroxyphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)C1CSC(c2cc(O)cc(F)c2)=N1
InChIInChI=1S/C10H8FNO3S/c11-6-1-5(2-7(13)3-6)9-12-8(4-16-9)10(14)15/h1-3,8,13H,4H2,(H,14,15)
InChIKeyVDQKIGKQQIAOEA-UHFFFAOYSA-N
MW241.24 g/mol
LogP1.48
Rot. Bonds2

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

2-(3-fluoro-5-hydroxyphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid (PubChem CID 171374428) has the molecular formula C10H8FNO3S and a molecular weight of 241.24 g/mol. Its IUPAC name is 2-(3-fluoro-5-hydroxyphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(3-fluoro-5-hydroxyphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid
PubChem CID171374428
Molecular FormulaC10H8FNO3S
Molecular Weight241.24 g/mol
Exact Mass241.02
IUPAC Name2-(3-fluoro-5-hydroxyphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)C1CSC(c2cc(O)cc(F)c2)=N1
InChIInChI=1S/C10H8FNO3S/c11-6-1-5(2-7(13)3-6)9-12-8(4-16-9)10(14)15/h1-3,8,13H,4H2,(H,14,15)
InChIKeyVDQKIGKQQIAOEA-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-(3-fluoro-5-hydroxyphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-(3-fluoro-5-hydroxyphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid (CID 171374428) is 2-(3-fluoro-5-hydroxyphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-(3-fluoro-5-hydroxyphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-(3-fluoro-5-hydroxyphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid is O=C(O)C1CSC(c2cc(O)cc(F)c2)=N1.
What is the InChIKey of 2-(3-fluoro-5-hydroxyphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid?
The InChIKey is VDQKIGKQQIAOEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FNO3S/c11-6-1-5(2-7(13)3-6)9-12-8(4-16-9)10(14)15/h1-3,8,13H,4H2,(H,14,15).
What are the key properties of 2-(3-fluoro-5-hydroxyphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid?
2-(3-fluoro-5-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-(3-fluoro-5-hydroxyphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 171374428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).