2-(2-fluoro-6-methoxyphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid

C11H10FNO3S — CID 70932195

IUPAC2-(2-fluoro-6-methoxyphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid
SMILESCOc1cccc(F)c1C1=NC(C(=O)O)CS1
InChIInChI=1S/C11H10FNO3S/c1-16-8-4-2-3-6(12)9(8)10-13-7(5-17-10)11(14)15/h2-4,7H,5H2,1H3,(H,14,15)
InChIKeyIWPBRICPNKZUGM-UHFFFAOYSA-N
MW255.27 g/mol
LogP1.78
Rot. Bonds3

About 2-(2-fluoro-6-methoxyphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid

2-(2-fluoro-6-methoxyphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid (PubChem CID 70932195) has the molecular formula C11H10FNO3S and a molecular weight of 255.27 g/mol. Its IUPAC name is 2-(2-fluoro-6-methoxyphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(2-fluoro-6-methoxyphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid
PubChem CID70932195
Molecular FormulaC11H10FNO3S
Molecular Weight255.27 g/mol
Exact Mass255.04
IUPAC Name2-(2-fluoro-6-methoxyphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid
SMILESCOc1cccc(F)c1C1=NC(C(=O)O)CS1
InChIInChI=1S/C11H10FNO3S/c1-16-8-4-2-3-6(12)9(8)10-13-7(5-17-10)11(14)15/h2-4,7H,5H2,1H3,(H,14,15)
InChIKeyIWPBRICPNKZUGM-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-(2-fluoro-6-methoxyphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-(2-fluoro-6-methoxyphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid (CID 70932195) is 2-(2-fluoro-6-methoxyphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-(2-fluoro-6-methoxyphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-(2-fluoro-6-methoxyphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid is COc1cccc(F)c1C1=NC(C(=O)O)CS1.
What is the InChIKey of 2-(2-fluoro-6-methoxyphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid?
The InChIKey is IWPBRICPNKZUGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO3S/c1-16-8-4-2-3-6(12)9(8)10-13-7(5-17-10)11(14)15/h2-4,7H,5H2,1H3,(H,14,15).
What are the key properties of 2-(2-fluoro-6-methoxyphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid?
2-(2-fluoro-6-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-(2-fluoro-6-methoxyphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 70932195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).