ethyl 2-(2-amino-1,3-thiazol-5-yl)-2-fluoroacetate

C7H9FN2O2S — CID 174382063

IUPACethyl 2-(2-amino-1,3-thiazol-5-yl)-2-fluoroacetate
SMILESCCOC(=O)C(F)c1cnc(N)s1
InChIInChI=1S/C7H9FN2O2S/c1-2-12-6(11)5(8)4-3-10-7(9)13-4/h3,5H,2H2,1H3,(H2,9,10)
InChIKeySJFXIOINASYDKD-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.30
Rot. Bonds3

About ethyl 2-(2-amino-1,3-thiazol-5-yl)-2-fluoroacetate

ethyl 2-(2-amino-1,3-thiazol-5-yl)-2-fluoroacetate (PubChem CID 174382063) has the molecular formula C7H9FN2O2S and a molecular weight of 204.23 g/mol. Its IUPAC name is ethyl 2-(2-amino-1,3-thiazol-5-yl)-2-fluoroacetate.

Molecular Properties

Compound Nameethyl 2-(2-amino-1,3-thiazol-5-yl)-2-fluoroacetate
PubChem CID174382063
Molecular FormulaC7H9FN2O2S
Molecular Weight204.23 g/mol
Exact Mass204.04
IUPAC Nameethyl 2-(2-amino-1,3-thiazol-5-yl)-2-fluoroacetate
SMILESCCOC(=O)C(F)c1cnc(N)s1
InChIInChI=1S/C7H9FN2O2S/c1-2-12-6(11)5(8)4-3-10-7(9)13-4/h3,5H,2H2,1H3,(H2,9,10)
InChIKeySJFXIOINASYDKD-UHFFFAOYSA-N
XLogP1.30
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 2-(2-amino-1,3-thiazol-5-yl)acetate
CID 717815
5-Thiazoleacetic acid, 2-amino-
CID 104197
Ethyl 2-(2-bromo-1,3-thiazol-5-yl)acetate
CID 54136618
2-(2-Diazonio-1,3-thiazol-5-yl)acetate
CID 13948295
5-(1-Methoxypropan-2-yl)-1,3-thiazol-2-amine
CID 104054033
5-(2-Methoxyethyl)-1,3-thiazol-2-amine hydrochloride
CID 132354260
Ethyl 2-(thiazol-5-yl)acetate
CID 20358489
Ethyl 2-[2-[[2,2,2-trifluoro-1-(propanoylamino)-1-(trifluoromethyl)ethyl]amino]thiazol-5-yl]acetate
CID 383578
Ethyl 2-(2-acetamido-1,3-thiazol-5-yl)-2,2-difluoroacetate
CID 102258947
Ethyl 2,2-difluoro-2-(1,3-thiazol-5-yl)acetate
CID 140207168
Ethyl 2-(2-amino-1,3-thiazol-5-yl)-4,4,4-trifluorobutanoate
CID 172594699
Ethyl (2-ethoxy-1,3-thiazol-5-yl)acetate
CID 71426523

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-amino-1,3-thiazol-5-yl)-2-fluoroacetate?
The IUPAC name of ethyl 2-(2-amino-1,3-thiazol-5-yl)-2-fluoroacetate (CID 174382063) is ethyl 2-(2-amino-1,3-thiazol-5-yl)-2-fluoroacetate.
What is the SMILES notation for ethyl 2-(2-amino-1,3-thiazol-5-yl)-2-fluoroacetate?
The canonical SMILES for ethyl 2-(2-amino-1,3-thiazol-5-yl)-2-fluoroacetate is CCOC(=O)C(F)c1cnc(N)s1.
What is the InChIKey of ethyl 2-(2-amino-1,3-thiazol-5-yl)-2-fluoroacetate?
The InChIKey is SJFXIOINASYDKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FN2O2S/c1-2-12-6(11)5(8)4-3-10-7(9)13-4/h3,5H,2H2,1H3,(H2,9,10).
What are the key properties of ethyl 2-(2-amino-1,3-thiazol-5-yl)-2-fluoroacetate?
ethyl 2-(2-amino-1,3-thiazol-5-yl)-2-fluoroacetate has a molecular weight of 204.23 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-amino-1,3-thiazol-5-yl)-2-fluoroacetate is sourced from PubChem (CID 174382063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).