2-(4-carbamoylphenoxy)-4-chloro-1,3-thiazole-5-carboxylic acid

C11H7ClN2O4S — CID 80692779

IUPAC2-(4-carbamoylphenoxy)-4-chloro-1,3-thiazole-5-carboxylic acid
SMILESNC(=O)c1ccc(Oc2nc(Cl)c(C(=O)O)s2)cc1
InChIInChI=1S/C11H7ClN2O4S/c12-8-7(10(16)17)19-11(14-8)18-6-3-1-5(2-4-6)9(13)15/h1-4H,(H2,13,15)(H,16,17)
InChIKeyJYFPXZJPWBGXEG-UHFFFAOYSA-N
MW298.71 g/mol
LogP2.39
Rot. Bonds4

About 2-(4-carbamoylphenoxy)-4-chloro-1,3-thiazole-5-carboxylic acid

2-(4-carbamoylphenoxy)-4-chloro-1,3-thiazole-5-carboxylic acid (PubChem CID 80692779) has the molecular formula C11H7ClN2O4S and a molecular weight of 298.71 g/mol. Its IUPAC name is 2-(4-carbamoylphenoxy)-4-chloro-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(4-carbamoylphenoxy)-4-chloro-1,3-thiazole-5-carboxylic acid
PubChem CID80692779
Molecular FormulaC11H7ClN2O4S
Molecular Weight298.71 g/mol
Exact Mass297.98
IUPAC Name2-(4-carbamoylphenoxy)-4-chloro-1,3-thiazole-5-carboxylic acid
SMILESNC(=O)c1ccc(Oc2nc(Cl)c(C(=O)O)s2)cc1
InChIInChI=1S/C11H7ClN2O4S/c12-8-7(10(16)17)19-11(14-8)18-6-3-1-5(2-4-6)9(13)15/h1-4H,(H2,13,15)(H,16,17)
InChIKeyJYFPXZJPWBGXEG-UHFFFAOYSA-N
XLogP2.39
TPSA102.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.71
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(4-carbamoylphenoxy)-4-chloro-1,3-thiazole-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-2-[4-(2-methoxyethyl)phenoxy]-1,3-thiazole-5-carboxylic acid
CID 80693618
4-chloro-2-pyridin-3-yloxy-1,3-thiazole-5-carboxylic acid
CID 80693318
4-chloro-2-(3-cyanophenoxy)-1,3-thiazole-5-carboxylic acid
CID 80693087
4-(4-carbamoylphenoxy)benzamide
CID 156597124
methyl 2-(4-tert-butylphenoxy)-4-chloro-1,3-thiazole-5-carboxylate
CID 61057856
methyl 2-(4-acetamidophenoxy)-4-chloro-1,3-thiazole-5-carboxylate
CID 133424442
methyl 4-chloro-2-[4-(hydroxymethyl)phenoxy]-1,3-thiazole-5-carboxylate
CID 61228562
4-chloro-2-(2-propan-2-ylphenoxy)-1,3-thiazole-5-carboxylic acid
CID 80692186
4-chloro-2-(5-fluoro-2-methylphenoxy)-1,3-thiazole-5-carboxylic acid
CID 102989826
4-[(5-acetyl-1,3-thiazol-2-yl)oxy]benzamide
CID 142116908
4-[[4-(4-carbamoylphenoxy)-6-(4-methylphenoxy)-1,3,5-triazin-2-yl]oxy]benzamide
CID 162501088
2-(4-bromo-2-nitrophenoxy)-4-chloro-1,3-thiazole-5-carboxylic acid
CID 80692092

Frequently Asked Questions

What is the IUPAC name of 2-(4-carbamoylphenoxy)-4-chloro-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(4-carbamoylphenoxy)-4-chloro-1,3-thiazole-5-carboxylic acid (CID 80692779) is 2-(4-carbamoylphenoxy)-4-chloro-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(4-carbamoylphenoxy)-4-chloro-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(4-carbamoylphenoxy)-4-chloro-1,3-thiazole-5-carboxylic acid is NC(=O)c1ccc(Oc2nc(Cl)c(C(=O)O)s2)cc1.
What is the InChIKey of 2-(4-carbamoylphenoxy)-4-chloro-1,3-thiazole-5-carboxylic acid?
The InChIKey is JYFPXZJPWBGXEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClN2O4S/c12-8-7(10(16)17)19-11(14-8)18-6-3-1-5(2-4-6)9(13)15/h1-4H,(H2,13,15)(H,16,17).
What are the key properties of 2-(4-carbamoylphenoxy)-4-chloro-1,3-thiazole-5-carboxylic acid?
2-(4-carbamoylphenoxy)-4-chloro-1,3-thiazole-5-carboxylic acid has a molecular weight of 298.71 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-carbamoylphenoxy)-4-chloro-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 80692779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).