ethyl 4-[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]-1,3-thiazole-2-carboxylate

C11H14F2N2O4S — CID 107482272

IUPACethyl 4-[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]-1,3-thiazole-2-carboxylate
SMILESCCOC(=O)c1nc(C(=O)N(CCO)CC(F)F)cs1
InChIInChI=1S/C11H14F2N2O4S/c1-2-19-11(18)9-14-7(6-20-9)10(17)15(3-4-16)5-8(12)13/h6,8,16H,2-5H2,1H3
InChIKeyUESZNQGZBCXVCH-UHFFFAOYSA-N
MW308.31 g/mol
LogP1.02
Rot. Bonds7

About ethyl 4-[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]-1,3-thiazole-2-carboxylate

ethyl 4-[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]-1,3-thiazole-2-carboxylate (PubChem CID 107482272) has the molecular formula C11H14F2N2O4S and a molecular weight of 308.31 g/mol. Its IUPAC name is ethyl 4-[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]-1,3-thiazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]-1,3-thiazole-2-carboxylate
PubChem CID107482272
Molecular FormulaC11H14F2N2O4S
Molecular Weight308.31 g/mol
Exact Mass308.06
IUPAC Nameethyl 4-[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]-1,3-thiazole-2-carboxylate
SMILESCCOC(=O)c1nc(C(=O)N(CCO)CC(F)F)cs1
InChIInChI=1S/C11H14F2N2O4S/c1-2-19-11(18)9-14-7(6-20-9)10(17)15(3-4-16)5-8(12)13/h6,8,16H,2-5H2,1H3
InChIKeyUESZNQGZBCXVCH-UHFFFAOYSA-N
XLogP1.02
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.31
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 121303228
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CID 121303323
CID 121303323
CID 121304037
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CID 121307731
CID 121307731
CID 131747571
CID 131747571
CID 132077560
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CID 140816298
CID 140816298

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]-1,3-thiazole-2-carboxylate?
The IUPAC name of ethyl 4-[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]-1,3-thiazole-2-carboxylate (CID 107482272) is ethyl 4-[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]-1,3-thiazole-2-carboxylate.
What is the SMILES notation for ethyl 4-[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]-1,3-thiazole-2-carboxylate?
The canonical SMILES for ethyl 4-[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]-1,3-thiazole-2-carboxylate is CCOC(=O)c1nc(C(=O)N(CCO)CC(F)F)cs1.
What is the InChIKey of ethyl 4-[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]-1,3-thiazole-2-carboxylate?
The InChIKey is UESZNQGZBCXVCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O4S/c1-2-19-11(18)9-14-7(6-20-9)10(17)15(3-4-16)5-8(12)13/h6,8,16H,2-5H2,1H3.
What are the key properties of ethyl 4-[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]-1,3-thiazole-2-carboxylate?
ethyl 4-[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]-1,3-thiazole-2-carboxylate has a molecular weight of 308.31 g/mol, XLogP of 1.02, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]-1,3-thiazole-2-carboxylate is sourced from PubChem (CID 107482272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).