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

Name: 3,3-difluoro-5-[[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]methyl]oxolan-2-one — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₁H₁₄F₂N₂O₂S — CID 106492861

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

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 Name	3,3-difluoro-5-[[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]methyl]oxolan-2-one
PubChem CID	106492861
Molecular Formula	C₁₁H₁₄F₂N₂O₂S
Molecular Weight	276.31 g/mol
Exact Mass	276.07
IUPAC Name	3,3-difluoro-5-[[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]methyl]oxolan-2-one
SMILES	Cc1cnc(C(C)NCC2CC(F)(F)C(=O)O2)s1
InChI	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
InChIKey	BTBYPTDWUAKPFC-UHFFFAOYSA-N
XLogP	2.05
TPSA	51.22 Å²
H-Bond Donors	1
H-Bond Acceptors	5
Rotatable Bonds	4
Heavy Atoms	18
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	276.31
LogP ≤ 5	2.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

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).

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Sources

PubChem CID 106492861 — identifiers, structure, computed properties (public domain)

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