methyl 2-(2-amino-1,3-thiazol-5-yl)-2,2-difluoroacetate

C6H6F2N2O2S — CID 84722573

IUPACmethyl 2-(2-amino-1,3-thiazol-5-yl)-2,2-difluoroacetate
SMILESCOC(=O)C(F)(F)c1cnc(N)s1
InChIInChI=1S/C6H6F2N2O2S/c1-12-4(11)6(7,8)3-2-10-5(9)13-3/h2H,1H3,(H2,9,10)
InChIKeyKKTALIGTCUPICO-UHFFFAOYSA-N
MW208.19 g/mol
LogP0.99
Rot. Bonds2

About methyl 2-(2-amino-1,3-thiazol-5-yl)-2,2-difluoroacetate

methyl 2-(2-amino-1,3-thiazol-5-yl)-2,2-difluoroacetate (PubChem CID 84722573) has the molecular formula C6H6F2N2O2S and a molecular weight of 208.19 g/mol. Its IUPAC name is methyl 2-(2-amino-1,3-thiazol-5-yl)-2,2-difluoroacetate.

Molecular Properties

Compound Namemethyl 2-(2-amino-1,3-thiazol-5-yl)-2,2-difluoroacetate
PubChem CID84722573
Molecular FormulaC6H6F2N2O2S
Molecular Weight208.19 g/mol
Exact Mass208.01
IUPAC Namemethyl 2-(2-amino-1,3-thiazol-5-yl)-2,2-difluoroacetate
SMILESCOC(=O)C(F)(F)c1cnc(N)s1
InChIInChI=1S/C6H6F2N2O2S/c1-12-4(11)6(7,8)3-2-10-5(9)13-3/h2H,1H3,(H2,9,10)
InChIKeyKKTALIGTCUPICO-UHFFFAOYSA-N
XLogP0.99
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.19
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-amino-1,3-thiazol-5-yl)-2,2-difluoroacetate?
The IUPAC name of methyl 2-(2-amino-1,3-thiazol-5-yl)-2,2-difluoroacetate (CID 84722573) is methyl 2-(2-amino-1,3-thiazol-5-yl)-2,2-difluoroacetate.
What is the SMILES notation for methyl 2-(2-amino-1,3-thiazol-5-yl)-2,2-difluoroacetate?
The canonical SMILES for methyl 2-(2-amino-1,3-thiazol-5-yl)-2,2-difluoroacetate is COC(=O)C(F)(F)c1cnc(N)s1.
What is the InChIKey of methyl 2-(2-amino-1,3-thiazol-5-yl)-2,2-difluoroacetate?
The InChIKey is KKTALIGTCUPICO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F2N2O2S/c1-12-4(11)6(7,8)3-2-10-5(9)13-3/h2H,1H3,(H2,9,10).
What are the key properties of methyl 2-(2-amino-1,3-thiazol-5-yl)-2,2-difluoroacetate?
methyl 2-(2-amino-1,3-thiazol-5-yl)-2,2-difluoroacetate has a molecular weight of 208.19 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-amino-1,3-thiazol-5-yl)-2,2-difluoroacetate is sourced from PubChem (CID 84722573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).