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

C12H11FN2O2S — CID 112724634

IUPACmethyl 2-[2-(2-fluoroanilino)-1,3-thiazol-4-yl]acetate
SMILESCOC(=O)Cc1csc(Nc2ccccc2F)n1
InChIInChI=1S/C12H11FN2O2S/c1-17-11(16)6-8-7-18-12(14-8)15-10-5-3-2-4-9(10)13/h2-5,7H,6H2,1H3,(H,14,15)
InChIKeyIWIXYROTRKLEAP-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.74
Rot. Bonds4

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

methyl 2-[2-(2-fluoroanilino)-1,3-thiazol-4-yl]acetate (PubChem CID 112724634) has the molecular formula C12H11FN2O2S and a molecular weight of 266.30 g/mol. Its IUPAC name is methyl 2-[2-(2-fluoroanilino)-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-(2-fluoroanilino)-1,3-thiazol-4-yl]acetate
PubChem CID112724634
Molecular FormulaC12H11FN2O2S
Molecular Weight266.30 g/mol
Exact Mass266.05
IUPAC Namemethyl 2-[2-(2-fluoroanilino)-1,3-thiazol-4-yl]acetate
SMILESCOC(=O)Cc1csc(Nc2ccccc2F)n1
InChIInChI=1S/C12H11FN2O2S/c1-17-11(16)6-8-7-18-12(14-8)15-10-5-3-2-4-9(10)13/h2-5,7H,6H2,1H3,(H,14,15)
InChIKeyIWIXYROTRKLEAP-UHFFFAOYSA-N
XLogP2.74
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[2-(5-bromo-2-fluoroanilino)-1,3-thiazol-4-yl]acetate
CID 80574470
ethyl 2-[2-(2,3-difluoroanilino)-1,3-thiazol-4-yl]acetate
CID 80574749
methyl 2-(2-fluoroanilino)-1,3-thiazole-4-carboxylate
CID 115423247
methyl 2-[2-[(2-fluorophenyl)methyl]-1,3-thiazol-4-yl]acetate
CID 79016822
2-[2-(2-fluoroanilino)-1,3-thiazol-4-yl]-N-[(2S)-1-(4-methylpiperazin-1-yl)butan-2-yl]acetamide
CID 51617843
methyl 3-[2-(2,4-difluoroanilino)-1,3-thiazol-4-yl]propanoate
CID 107039927
ethyl 2-[2-[2-(dimethylamino)anilino]-1,3-thiazol-4-yl]acetate
CID 106760974
methyl 2-[2-(4-propan-2-ylanilino)-1,3-thiazol-4-yl]acetate
CID 112724647
methyl 2-[2-(2-phenylpropylamino)-1,3-thiazol-4-yl]acetate
CID 104592481
methyl 2-[2-[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 110537229
ethyl 2-[2-(2,5-difluoro-4-methylanilino)-1,3-thiazol-4-yl]acetate
CID 103587768
methyl 2-[2-(2,4,6-trichloroanilino)-1,3-thiazol-4-yl]acetate
CID 80574111

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(2-fluoroanilino)-1,3-thiazol-4-yl]acetate?
The IUPAC name of methyl 2-[2-(2-fluoroanilino)-1,3-thiazol-4-yl]acetate (CID 112724634) is methyl 2-[2-(2-fluoroanilino)-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for methyl 2-[2-(2-fluoroanilino)-1,3-thiazol-4-yl]acetate?
The canonical SMILES for methyl 2-[2-(2-fluoroanilino)-1,3-thiazol-4-yl]acetate is COC(=O)Cc1csc(Nc2ccccc2F)n1.
What is the InChIKey of methyl 2-[2-(2-fluoroanilino)-1,3-thiazol-4-yl]acetate?
The InChIKey is IWIXYROTRKLEAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O2S/c1-17-11(16)6-8-7-18-12(14-8)15-10-5-3-2-4-9(10)13/h2-5,7H,6H2,1H3,(H,14,15).
What are the key properties of methyl 2-[2-(2-fluoroanilino)-1,3-thiazol-4-yl]acetate?
methyl 2-[2-(2-fluoroanilino)-1,3-thiazol-4-yl]acetate has a molecular weight of 266.30 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(2-fluoroanilino)-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 112724634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).