methyl 2-(3-fluoroanilino)-2-(4-methyl-1,3-thiazol-5-yl)acetate

C13H13FN2O2S — CID 102766012

IUPACmethyl 2-(3-fluoroanilino)-2-(4-methyl-1,3-thiazol-5-yl)acetate
SMILESCOC(=O)C(Nc1cccc(F)c1)c1scnc1C
InChIInChI=1S/C13H13FN2O2S/c1-8-12(19-7-15-8)11(13(17)18-2)16-10-5-3-4-9(14)6-10/h3-7,11,16H,1-2H3
InChIKeyMWGFZZTZSLXRCF-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.92
Rot. Bonds4

About methyl 2-(3-fluoroanilino)-2-(4-methyl-1,3-thiazol-5-yl)acetate

methyl 2-(3-fluoroanilino)-2-(4-methyl-1,3-thiazol-5-yl)acetate (PubChem CID 102766012) has the molecular formula C13H13FN2O2S and a molecular weight of 280.32 g/mol. Its IUPAC name is methyl 2-(3-fluoroanilino)-2-(4-methyl-1,3-thiazol-5-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(3-fluoroanilino)-2-(4-methyl-1,3-thiazol-5-yl)acetate
PubChem CID102766012
Molecular FormulaC13H13FN2O2S
Molecular Weight280.32 g/mol
Exact Mass280.07
IUPAC Namemethyl 2-(3-fluoroanilino)-2-(4-methyl-1,3-thiazol-5-yl)acetate
SMILESCOC(=O)C(Nc1cccc(F)c1)c1scnc1C
InChIInChI=1S/C13H13FN2O2S/c1-8-12(19-7-15-8)11(13(17)18-2)16-10-5-3-4-9(14)6-10/h3-7,11,16H,1-2H3
InChIKeyMWGFZZTZSLXRCF-UHFFFAOYSA-N
XLogP2.92
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(3-bromoanilino)-2-(4-methyl-1,3-thiazol-5-yl)acetate
CID 102766001
ethyl 2-anilino-2-(4-methyl-1,3-thiazol-5-yl)acetate
CID 102765950
methyl 2-(2-bromoanilino)-2-(4-methyl-1,3-thiazol-5-yl)acetate
CID 102765990
methyl 2-(4-bromophenyl)-2-(3-fluoroanilino)acetate
CID 60993451
ethyl 2-(4-methoxyanilino)-2-(4-methyl-1,3-thiazol-5-yl)acetate
CID 102765940
ethyl 2-(3-bromo-4-chloroanilino)-2-(4-methyl-1,3-thiazol-5-yl)acetate
CID 102766129
methyl 2-(4-fluorophenyl)-2-(3-methylanilino)acetate
CID 60993493
methyl 2-(3-fluorophenyl)-2-(4-methylanilino)acetate
CID 60991774
2-(3-fluoroanilino)-2-(2-methoxyphenyl)acetamide
CID 60995341
2-(3-fluoroanilino)-2-(2,4,6-trimethylphenyl)acetamide
CID 60996177
ethyl 2-(3-fluoroanilino)-2-(2-fluorophenyl)acetate
CID 60993455
methyl 2-acetamido-2-(3-fluorophenyl)acetate
CID 116860635

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-fluoroanilino)-2-(4-methyl-1,3-thiazol-5-yl)acetate?
The IUPAC name of methyl 2-(3-fluoroanilino)-2-(4-methyl-1,3-thiazol-5-yl)acetate (CID 102766012) is methyl 2-(3-fluoroanilino)-2-(4-methyl-1,3-thiazol-5-yl)acetate.
What is the SMILES notation for methyl 2-(3-fluoroanilino)-2-(4-methyl-1,3-thiazol-5-yl)acetate?
The canonical SMILES for methyl 2-(3-fluoroanilino)-2-(4-methyl-1,3-thiazol-5-yl)acetate is COC(=O)C(Nc1cccc(F)c1)c1scnc1C.
What is the InChIKey of methyl 2-(3-fluoroanilino)-2-(4-methyl-1,3-thiazol-5-yl)acetate?
The InChIKey is MWGFZZTZSLXRCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O2S/c1-8-12(19-7-15-8)11(13(17)18-2)16-10-5-3-4-9(14)6-10/h3-7,11,16H,1-2H3.
What are the key properties of methyl 2-(3-fluoroanilino)-2-(4-methyl-1,3-thiazol-5-yl)acetate?
methyl 2-(3-fluoroanilino)-2-(4-methyl-1,3-thiazol-5-yl)acetate has a molecular weight of 280.32 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-fluoroanilino)-2-(4-methyl-1,3-thiazol-5-yl)acetate is sourced from PubChem (CID 102766012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).