2-(2-fluoro-5-methoxyanilino)-1,3-thiazole-5-carboxylic acid

C11H9FN2O3S — CID 80572716

IUPAC2-(2-fluoro-5-methoxyanilino)-1,3-thiazole-5-carboxylic acid
SMILESCOc1ccc(F)c(Nc2ncc(C(=O)O)s2)c1
InChIInChI=1S/C11H9FN2O3S/c1-17-6-2-3-7(12)8(4-6)14-11-13-5-9(18-11)10(15)16/h2-5H,1H3,(H,13,14)(H,15,16)
InChIKeyNCMLDKBKPBCUCS-UHFFFAOYSA-N
MW268.27 g/mol
LogP2.73
Rot. Bonds4

About 2-(2-fluoro-5-methoxyanilino)-1,3-thiazole-5-carboxylic acid

2-(2-fluoro-5-methoxyanilino)-1,3-thiazole-5-carboxylic acid (PubChem CID 80572716) has the molecular formula C11H9FN2O3S and a molecular weight of 268.27 g/mol. Its IUPAC name is 2-(2-fluoro-5-methoxyanilino)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(2-fluoro-5-methoxyanilino)-1,3-thiazole-5-carboxylic acid
PubChem CID80572716
Molecular FormulaC11H9FN2O3S
Molecular Weight268.27 g/mol
Exact Mass268.03
IUPAC Name2-(2-fluoro-5-methoxyanilino)-1,3-thiazole-5-carboxylic acid
SMILESCOc1ccc(F)c(Nc2ncc(C(=O)O)s2)c1
InChIInChI=1S/C11H9FN2O3S/c1-17-6-2-3-7(12)8(4-6)14-11-13-5-9(18-11)10(15)16/h2-5H,1H3,(H,13,14)(H,15,16)
InChIKeyNCMLDKBKPBCUCS-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

methyl 2-(5-chloro-2-fluoroanilino)-1,3-thiazole-5-carboxylate
CID 80572347
methyl 2-(2-fluoro-5-methylanilino)-1,3-thiazole-5-carboxylate
CID 80572029
methyl 2-(2,4,5-trifluoroanilino)-1,3-thiazole-5-carboxylate
CID 80571341
5-chloro-2-(2-fluoro-5-methoxyanilino)pyridine-4-carboxylic acid
CID 114919808
2-(2-chloro-5-fluoroanilino)-1,3-thiazole-5-carboxylic acid
CID 107531721
2-[(6-methoxy-3-pyridinyl)amino]-1,3-thiazole-5-carboxylic acid
CID 80571966
1-N',2-N'-bis(2-fluoro-5-methoxyphenyl)ethanedihydrazide
CID 138619993
2-(3-chloro-2-fluoroanilino)-1,3-thiazole-5-carboxylic acid
CID 80571660
methyl 2-(4-fluoro-2-iodoanilino)-1,3-thiazole-5-carboxylate
CID 80572767
2-[2-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxylic acid
CID 80570658
2-(2-aminoanilino)-1,3-thiazole-5-carboxylic acid
CID 87396018
2-(2,5-dichloro-4-methylanilino)-1,3-thiazole-5-carboxylic acid
CID 104728582

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-5-methoxyanilino)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(2-fluoro-5-methoxyanilino)-1,3-thiazole-5-carboxylic acid (CID 80572716) is 2-(2-fluoro-5-methoxyanilino)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(2-fluoro-5-methoxyanilino)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(2-fluoro-5-methoxyanilino)-1,3-thiazole-5-carboxylic acid is COc1ccc(F)c(Nc2ncc(C(=O)O)s2)c1.
What is the InChIKey of 2-(2-fluoro-5-methoxyanilino)-1,3-thiazole-5-carboxylic acid?
The InChIKey is NCMLDKBKPBCUCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O3S/c1-17-6-2-3-7(12)8(4-6)14-11-13-5-9(18-11)10(15)16/h2-5H,1H3,(H,13,14)(H,15,16).
What are the key properties of 2-(2-fluoro-5-methoxyanilino)-1,3-thiazole-5-carboxylic acid?
2-(2-fluoro-5-methoxyanilino)-1,3-thiazole-5-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 2-(2-fluoro-5-methoxyanilino)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 80572716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).