ethyl 2-amino-4-(5-fluoro-2-methoxyphenyl)-1,3-thiazole-5-carboxylate

C13H13FN2O3S — CID 90477373

IUPACethyl 2-amino-4-(5-fluoro-2-methoxyphenyl)-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(N)nc1-c1cc(F)ccc1OC
InChIInChI=1S/C13H13FN2O3S/c1-3-19-12(17)11-10(16-13(15)20-11)8-6-7(14)4-5-9(8)18-2/h4-6H,3H2,1-2H3,(H2,15,16)
InChIKeyOXOBGYXHEDLJAB-UHFFFAOYSA-N
MW296.32 g/mol
LogP2.72
Rot. Bonds4

About ethyl 2-amino-4-(5-fluoro-2-methoxyphenyl)-1,3-thiazole-5-carboxylate

ethyl 2-amino-4-(5-fluoro-2-methoxyphenyl)-1,3-thiazole-5-carboxylate (PubChem CID 90477373) has the molecular formula C13H13FN2O3S and a molecular weight of 296.32 g/mol. Its IUPAC name is ethyl 2-amino-4-(5-fluoro-2-methoxyphenyl)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-4-(5-fluoro-2-methoxyphenyl)-1,3-thiazole-5-carboxylate
PubChem CID90477373
Molecular FormulaC13H13FN2O3S
Molecular Weight296.32 g/mol
Exact Mass296.06
IUPAC Nameethyl 2-amino-4-(5-fluoro-2-methoxyphenyl)-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(N)nc1-c1cc(F)ccc1OC
InChIInChI=1S/C13H13FN2O3S/c1-3-19-12(17)11-10(16-13(15)20-11)8-6-7(14)4-5-9(8)18-2/h4-6H,3H2,1-2H3,(H2,15,16)
InChIKeyOXOBGYXHEDLJAB-UHFFFAOYSA-N
XLogP2.72
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-amino-4-(3-bromo-4-methoxyphenyl)-1,3-thiazole-5-carboxylate
CID 90477372
ethyl 2-(5-fluoro-2-methoxyphenyl)-1,3-oxazole-4-carboxylate
CID 142693900
ethyl 2-amino-4-(3,4-dimethylphenyl)-1,3-thiazole-5-carboxylate
CID 90477363
ethyl 2-amino-4-naphthalen-1-yl-1,3-thiazole-5-carboxylate
CID 53440975
ethyl 2-[(5-fluoro-2-methoxybenzoyl)amino]-4-phenyl-1,3-thiazole-5-carboxylate
CID 55509740
ethyl 2-amino-4-(3,5-dichlorophenyl)-1,3-thiazole-5-carboxylate
CID 34173292
4-(5-ethyl-2-methoxyphenyl)-1,3-thiazole-2,5-diamine
CID 82480643
ethyl 2-[6-(5-fluoro-2-methoxyphenyl)-5-formylimidazo[2,1-b][1,3]thiazol-2-yl]acetate
CID 3325263
2-ethyl-6-(5-fluoro-2-methoxyphenyl)-5-methylpyrimidin-4-amine
CID 80977034
bis(diethyl 2-amino-1,3-thiazole-4,5-dicarboxylate);hydrate
CID 139067638
ethyl 2-(5-fluoro-2-methylphenyl)-5-methyl-1,3-thiazole-4-carboxylate
CID 116526244
ethyl 2-bromo-4-(3-fluorophenyl)-1,3-thiazole-5-carboxylate
CID 131867352

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-4-(5-fluoro-2-methoxyphenyl)-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-amino-4-(5-fluoro-2-methoxyphenyl)-1,3-thiazole-5-carboxylate (CID 90477373) is ethyl 2-amino-4-(5-fluoro-2-methoxyphenyl)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-amino-4-(5-fluoro-2-methoxyphenyl)-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-amino-4-(5-fluoro-2-methoxyphenyl)-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(N)nc1-c1cc(F)ccc1OC.
What is the InChIKey of ethyl 2-amino-4-(5-fluoro-2-methoxyphenyl)-1,3-thiazole-5-carboxylate?
The InChIKey is OXOBGYXHEDLJAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O3S/c1-3-19-12(17)11-10(16-13(15)20-11)8-6-7(14)4-5-9(8)18-2/h4-6H,3H2,1-2H3,(H2,15,16).
What are the key properties of ethyl 2-amino-4-(5-fluoro-2-methoxyphenyl)-1,3-thiazole-5-carboxylate?
ethyl 2-amino-4-(5-fluoro-2-methoxyphenyl)-1,3-thiazole-5-carboxylate has a molecular weight of 296.32 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-4-(5-fluoro-2-methoxyphenyl)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 90477373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).