3,3-difluoro-5-[[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]methyl]oxolan-2-one

C11H14F2N2O2S — CID 106492861

IUPAC3,3-difluoro-5-[[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]methyl]oxolan-2-one
SMILESCc1cnc(C(C)NCC2CC(F)(F)C(=O)O2)s1
InChIInChI=1S/C11H14F2N2O2S/c1-6-4-15-9(18-6)7(2)14-5-8-3-11(12,13)10(16)17-8/h4,7-8,14H,3,5H2,1-2H3
InChIKeyBTBYPTDWUAKPFC-UHFFFAOYSA-N
MW276.31 g/mol
LogP2.05
Rot. Bonds4

About 3,3-difluoro-5-[[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]methyl]oxolan-2-one

3,3-difluoro-5-[[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]methyl]oxolan-2-one (PubChem CID 106492861) has the molecular formula C11H14F2N2O2S and a molecular weight of 276.31 g/mol. Its IUPAC name is 3,3-difluoro-5-[[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]methyl]oxolan-2-one.

Molecular Properties

Compound Name3,3-difluoro-5-[[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]methyl]oxolan-2-one
PubChem CID106492861
Molecular FormulaC11H14F2N2O2S
Molecular Weight276.31 g/mol
Exact Mass276.07
IUPAC Name3,3-difluoro-5-[[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]methyl]oxolan-2-one
SMILESCc1cnc(C(C)NCC2CC(F)(F)C(=O)O2)s1
InChIInChI=1S/C11H14F2N2O2S/c1-6-4-15-9(18-6)7(2)14-5-8-3-11(12,13)10(16)17-8/h4,7-8,14H,3,5H2,1-2H3
InChIKeyBTBYPTDWUAKPFC-UHFFFAOYSA-N
XLogP2.05
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-5-[[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]methyl]oxolan-2-one?
The IUPAC name of 3,3-difluoro-5-[[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]methyl]oxolan-2-one (CID 106492861) is 3,3-difluoro-5-[[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]methyl]oxolan-2-one.
What is the SMILES notation for 3,3-difluoro-5-[[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]methyl]oxolan-2-one?
The canonical SMILES for 3,3-difluoro-5-[[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]methyl]oxolan-2-one is Cc1cnc(C(C)NCC2CC(F)(F)C(=O)O2)s1.
What is the InChIKey of 3,3-difluoro-5-[[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]methyl]oxolan-2-one?
The InChIKey is BTBYPTDWUAKPFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O2S/c1-6-4-15-9(18-6)7(2)14-5-8-3-11(12,13)10(16)17-8/h4,7-8,14H,3,5H2,1-2H3.
What are the key properties of 3,3-difluoro-5-[[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]methyl]oxolan-2-one?
3,3-difluoro-5-[[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]methyl]oxolan-2-one has a molecular weight of 276.31 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-5-[[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]methyl]oxolan-2-one is sourced from PubChem (CID 106492861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).