5-(3-fluoro-4-methoxyanilino)-1,3-thiazole-4-carboxylic acid

C11H9FN2O3S — CID 64629868

IUPAC5-(3-fluoro-4-methoxyanilino)-1,3-thiazole-4-carboxylic acid
SMILESCOc1ccc(Nc2scnc2C(=O)O)cc1F
InChIInChI=1S/C11H9FN2O3S/c1-17-8-3-2-6(4-7(8)12)14-10-9(11(15)16)13-5-18-10/h2-5,14H,1H3,(H,15,16)
InChIKeyNUUPKSOVRZWCGX-UHFFFAOYSA-N
MW268.27 g/mol
LogP2.73
Rot. Bonds4

About 5-(3-fluoro-4-methoxyanilino)-1,3-thiazole-4-carboxylic acid

5-(3-fluoro-4-methoxyanilino)-1,3-thiazole-4-carboxylic acid (PubChem CID 64629868) has the molecular formula C11H9FN2O3S and a molecular weight of 268.27 g/mol. Its IUPAC name is 5-(3-fluoro-4-methoxyanilino)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(3-fluoro-4-methoxyanilino)-1,3-thiazole-4-carboxylic acid
PubChem CID64629868
Molecular FormulaC11H9FN2O3S
Molecular Weight268.27 g/mol
Exact Mass268.03
IUPAC Name5-(3-fluoro-4-methoxyanilino)-1,3-thiazole-4-carboxylic acid
SMILESCOc1ccc(Nc2scnc2C(=O)O)cc1F
InChIInChI=1S/C11H9FN2O3S/c1-17-8-3-2-6(4-7(8)12)14-10-9(11(15)16)13-5-18-10/h2-5,14H,1H3,(H,15,16)
InChIKeyNUUPKSOVRZWCGX-UHFFFAOYSA-N
XLogP2.73
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-methoxy-3-methylanilino)-1,3-thiazole-4-carboxylic acid
CID 64630915
5-(3,4-difluoroanilino)-1,3-thiazole-4-carboxylic acid
CID 64631095
3-chloro-6-(3-fluoro-4-methoxyanilino)pyridine-2-carboxylic acid
CID 43381012
5-(3,5-dimethylanilino)-1,3-thiazole-4-carboxylic acid
CID 64629274
5-[4-(trifluoromethoxy)anilino]-1,3-thiazole-4-carboxylic acid
CID 64630070
5-(5-chloro-2-fluoroanilino)-1,3-thiazole-4-carboxylic acid
CID 64629867
5-(4-fluoro-2-methylanilino)-1,3-thiazole-4-carboxylic acid
CID 64629676
3-[(3-fluoro-4-methoxyphenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369102
5-[(2-methoxyphenyl)sulfonylamino]-1,3-thiazole-4-carboxylic acid
CID 86567094
4-bromo-N-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-amine
CID 79400376
3,5-dibromo-N-(3-fluoro-4-methoxyphenyl)pyridin-2-amine
CID 113413794
3-fluoro-4-methoxy-N-methylaniline
CID 21307269

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoro-4-methoxyanilino)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-(3-fluoro-4-methoxyanilino)-1,3-thiazole-4-carboxylic acid (CID 64629868) is 5-(3-fluoro-4-methoxyanilino)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-(3-fluoro-4-methoxyanilino)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-(3-fluoro-4-methoxyanilino)-1,3-thiazole-4-carboxylic acid is COc1ccc(Nc2scnc2C(=O)O)cc1F.
What is the InChIKey of 5-(3-fluoro-4-methoxyanilino)-1,3-thiazole-4-carboxylic acid?
The InChIKey is NUUPKSOVRZWCGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O3S/c1-17-8-3-2-6(4-7(8)12)14-10-9(11(15)16)13-5-18-10/h2-5,14H,1H3,(H,15,16).
What are the key properties of 5-(3-fluoro-4-methoxyanilino)-1,3-thiazole-4-carboxylic acid?
5-(3-fluoro-4-methoxyanilino)-1,3-thiazole-4-carboxylic acid has a molecular weight of 268.27 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoro-4-methoxyanilino)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 64629868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).