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

C11H10FNO3S — CID 171374425

IUPAC2-(3-fluoro-5-methoxyphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid
SMILESCOc1cc(F)cc(C2=NC(C(=O)O)CS2)c1
InChIInChI=1S/C11H10FNO3S/c1-16-8-3-6(2-7(12)4-8)10-13-9(5-17-10)11(14)15/h2-4,9H,5H2,1H3,(H,14,15)
InChIKeyVKIMFKBYSCCXLH-UHFFFAOYSA-N
MW255.27 g/mol
LogP1.78
Rot. Bonds3

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

2-(3-fluoro-5-methoxyphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid (PubChem CID 171374425) has the molecular formula C11H10FNO3S and a molecular weight of 255.27 g/mol. Its IUPAC name is 2-(3-fluoro-5-methoxyphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(3-fluoro-5-methoxyphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid
PubChem CID171374425
Molecular FormulaC11H10FNO3S
Molecular Weight255.27 g/mol
Exact Mass255.04
IUPAC Name2-(3-fluoro-5-methoxyphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid
SMILESCOc1cc(F)cc(C2=NC(C(=O)O)CS2)c1
InChIInChI=1S/C11H10FNO3S/c1-16-8-3-6(2-7(12)4-8)10-13-9(5-17-10)11(14)15/h2-4,9H,5H2,1H3,(H,14,15)
InChIKeyVKIMFKBYSCCXLH-UHFFFAOYSA-N
XLogP1.78
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-5-methoxyphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-(3-fluoro-5-methoxyphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid (CID 171374425) is 2-(3-fluoro-5-methoxyphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-(3-fluoro-5-methoxyphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-(3-fluoro-5-methoxyphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid is COc1cc(F)cc(C2=NC(C(=O)O)CS2)c1.
What is the InChIKey of 2-(3-fluoro-5-methoxyphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid?
The InChIKey is VKIMFKBYSCCXLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO3S/c1-16-8-3-6(2-7(12)4-8)10-13-9(5-17-10)11(14)15/h2-4,9H,5H2,1H3,(H,14,15).
What are the key properties of 2-(3-fluoro-5-methoxyphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid?
2-(3-fluoro-5-methoxyphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid has a molecular weight of 255.27 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-5-methoxyphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 171374425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).