ethyl 2-(2-acetamido-1,3-thiazol-5-yl)-2,2-difluoroacetate

C9H10F2N2O3S — CID 102258947

IUPACethyl 2-(2-acetamido-1,3-thiazol-5-yl)-2,2-difluoroacetate
SMILESCCOC(=O)C(F)(F)c1cnc(NC(C)=O)s1
InChIInChI=1S/C9H10F2N2O3S/c1-3-16-7(15)9(10,11)6-4-12-8(17-6)13-5(2)14/h4H,3H2,1-2H3,(H,12,13,14)
InChIKeyKERLIKNWBKLLTK-UHFFFAOYSA-N
MW264.25 g/mol
LogP1.76
Rot. Bonds4

About ethyl 2-(2-acetamido-1,3-thiazol-5-yl)-2,2-difluoroacetate

ethyl 2-(2-acetamido-1,3-thiazol-5-yl)-2,2-difluoroacetate (PubChem CID 102258947) has the molecular formula C9H10F2N2O3S and a molecular weight of 264.25 g/mol. Its IUPAC name is ethyl 2-(2-acetamido-1,3-thiazol-5-yl)-2,2-difluoroacetate.

Molecular Properties

Compound Nameethyl 2-(2-acetamido-1,3-thiazol-5-yl)-2,2-difluoroacetate
PubChem CID102258947
Molecular FormulaC9H10F2N2O3S
Molecular Weight264.25 g/mol
Exact Mass264.04
IUPAC Nameethyl 2-(2-acetamido-1,3-thiazol-5-yl)-2,2-difluoroacetate
SMILESCCOC(=O)C(F)(F)c1cnc(NC(C)=O)s1
InChIInChI=1S/C9H10F2N2O3S/c1-3-16-7(15)9(10,11)6-4-12-8(17-6)13-5(2)14/h4H,3H2,1-2H3,(H,12,13,14)
InChIKeyKERLIKNWBKLLTK-UHFFFAOYSA-N
XLogP1.76
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.25
LogP ≤ 51.76
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
Ethyl [2-({[(6-amino-4-oxo-1,4-dihydropyrimidin-2-yl)sulfanyl]acetyl}amino)-1,3-thiazol-5-yl]acetate
CID 135439707
Ethyl 4-((5-methylthiazol-2-yl)amino)-4-oxobutanoate
CID 33178147
Ethyl 2-[2-[[2,2,2-trifluoro-1-(propanoylamino)-1-(trifluoromethyl)ethyl]amino]thiazol-5-yl]acetate
CID 383578
N-(5-ethyl-1,3-thiazol-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 71994018
4-ethoxy-N-(5-propan-2-yl-1,3-thiazol-2-yl)butanamide
CID 71999021
Methyl 4-oxo-4-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]butanoate
CID 141716072
Ethyl 2-(2-amino-1,3-thiazol-5-yl)-4,4,4-trifluorobutanoate
CID 172594699
Ethyl 2-(2-amino-1,3-thiazol-5-yl)-2-fluoroacetate
CID 174382063
Ethyl 2-(2-((ethoxycarbonyl)amino)thiazol-5-yl) acetate
CID 177866593
2-[2-[[1,1,1,3,3,3-Hexafluoro-2-(propanoylamino)propan-2-yl]amino]-1,3-thiazol-5-yl]butanoate
CID 57350204
2-(2-Amino-1,3-thiazol-5-yl)-2,2-difluoroacetic acid
CID 84720240

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-acetamido-1,3-thiazol-5-yl)-2,2-difluoroacetate?
The IUPAC name of ethyl 2-(2-acetamido-1,3-thiazol-5-yl)-2,2-difluoroacetate (CID 102258947) is ethyl 2-(2-acetamido-1,3-thiazol-5-yl)-2,2-difluoroacetate.
What is the SMILES notation for ethyl 2-(2-acetamido-1,3-thiazol-5-yl)-2,2-difluoroacetate?
The canonical SMILES for ethyl 2-(2-acetamido-1,3-thiazol-5-yl)-2,2-difluoroacetate is CCOC(=O)C(F)(F)c1cnc(NC(C)=O)s1.
What is the InChIKey of ethyl 2-(2-acetamido-1,3-thiazol-5-yl)-2,2-difluoroacetate?
The InChIKey is KERLIKNWBKLLTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2N2O3S/c1-3-16-7(15)9(10,11)6-4-12-8(17-6)13-5(2)14/h4H,3H2,1-2H3,(H,12,13,14).
What are the key properties of ethyl 2-(2-acetamido-1,3-thiazol-5-yl)-2,2-difluoroacetate?
ethyl 2-(2-acetamido-1,3-thiazol-5-yl)-2,2-difluoroacetate has a molecular weight of 264.25 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-acetamido-1,3-thiazol-5-yl)-2,2-difluoroacetate is sourced from PubChem (CID 102258947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).