ethyl 4-(2,2-difluoroethylcarbamoyl)-1,3-thiazole-2-carboxylate

C9H10F2N2O3S — CID 116698182

IUPACethyl 4-(2,2-difluoroethylcarbamoyl)-1,3-thiazole-2-carboxylate
SMILESCCOC(=O)c1nc(C(=O)NCC(F)F)cs1
InChIInChI=1S/C9H10F2N2O3S/c1-2-16-9(15)8-13-5(4-17-8)7(14)12-3-6(10)11/h4,6H,2-3H2,1H3,(H,12,14)
InChIKeyICFUHCWYMXZVFG-UHFFFAOYSA-N
MW264.25 g/mol
LogP1.31
Rot. Bonds5

About ethyl 4-(2,2-difluoroethylcarbamoyl)-1,3-thiazole-2-carboxylate

ethyl 4-(2,2-difluoroethylcarbamoyl)-1,3-thiazole-2-carboxylate (PubChem CID 116698182) has the molecular formula C9H10F2N2O3S and a molecular weight of 264.25 g/mol. Its IUPAC name is ethyl 4-(2,2-difluoroethylcarbamoyl)-1,3-thiazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2,2-difluoroethylcarbamoyl)-1,3-thiazole-2-carboxylate
PubChem CID116698182
Molecular FormulaC9H10F2N2O3S
Molecular Weight264.25 g/mol
Exact Mass264.04
IUPAC Nameethyl 4-(2,2-difluoroethylcarbamoyl)-1,3-thiazole-2-carboxylate
SMILESCCOC(=O)c1nc(C(=O)NCC(F)F)cs1
InChIInChI=1S/C9H10F2N2O3S/c1-2-16-9(15)8-13-5(4-17-8)7(14)12-3-6(10)11/h4,6H,2-3H2,1H3,(H,12,14)
InChIKeyICFUHCWYMXZVFG-UHFFFAOYSA-N
XLogP1.31
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.25
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2,2-difluoroethylcarbamoyl)-1,3-thiazole-2-carboxylate?
The IUPAC name of ethyl 4-(2,2-difluoroethylcarbamoyl)-1,3-thiazole-2-carboxylate (CID 116698182) is ethyl 4-(2,2-difluoroethylcarbamoyl)-1,3-thiazole-2-carboxylate.
What is the SMILES notation for ethyl 4-(2,2-difluoroethylcarbamoyl)-1,3-thiazole-2-carboxylate?
The canonical SMILES for ethyl 4-(2,2-difluoroethylcarbamoyl)-1,3-thiazole-2-carboxylate is CCOC(=O)c1nc(C(=O)NCC(F)F)cs1.
What is the InChIKey of ethyl 4-(2,2-difluoroethylcarbamoyl)-1,3-thiazole-2-carboxylate?
The InChIKey is ICFUHCWYMXZVFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2N2O3S/c1-2-16-9(15)8-13-5(4-17-8)7(14)12-3-6(10)11/h4,6H,2-3H2,1H3,(H,12,14).
What are the key properties of ethyl 4-(2,2-difluoroethylcarbamoyl)-1,3-thiazole-2-carboxylate?
ethyl 4-(2,2-difluoroethylcarbamoyl)-1,3-thiazole-2-carboxylate has a molecular weight of 264.25 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2,2-difluoroethylcarbamoyl)-1,3-thiazole-2-carboxylate is sourced from PubChem (CID 116698182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).