2-(oxolan-3-yl)-N-[5-(1,1,2,2,2-pentafluoroethyl)-1,3-thiazol-2-yl]acetamide

C11H11F5N2O2S — CID 166311597

IUPAC2-(oxolan-3-yl)-N-[5-(1,1,2,2,2-pentafluoroethyl)-1,3-thiazol-2-yl]acetamide
SMILESO=C(CC1CCOC1)Nc1ncc(C(F)(F)C(F)(F)F)s1
InChIInChI=1S/C11H11F5N2O2S/c12-10(13,11(14,15)16)7-4-17-9(21-7)18-8(19)3-6-1-2-20-5-6/h4,6H,1-3,5H2,(H,17,18,19)
InChIKeyTXKJXVFIJBDKAC-UHFFFAOYSA-N
MW330.28 g/mol
LogP3.16
Rot. Bonds4

About 2-(oxolan-3-yl)-N-[5-(1,1,2,2,2-pentafluoroethyl)-1,3-thiazol-2-yl]acetamide

2-(oxolan-3-yl)-N-[5-(1,1,2,2,2-pentafluoroethyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 166311597) has the molecular formula C11H11F5N2O2S and a molecular weight of 330.28 g/mol. Its IUPAC name is 2-(oxolan-3-yl)-N-[5-(1,1,2,2,2-pentafluoroethyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(oxolan-3-yl)-N-[5-(1,1,2,2,2-pentafluoroethyl)-1,3-thiazol-2-yl]acetamide
PubChem CID166311597
Molecular FormulaC11H11F5N2O2S
Molecular Weight330.28 g/mol
Exact Mass330.05
IUPAC Name2-(oxolan-3-yl)-N-[5-(1,1,2,2,2-pentafluoroethyl)-1,3-thiazol-2-yl]acetamide
SMILESO=C(CC1CCOC1)Nc1ncc(C(F)(F)C(F)(F)F)s1
InChIInChI=1S/C11H11F5N2O2S/c12-10(13,11(14,15)16)7-4-17-9(21-7)18-8(19)3-6-1-2-20-5-6/h4,6H,1-3,5H2,(H,17,18,19)
InChIKeyTXKJXVFIJBDKAC-UHFFFAOYSA-N
XLogP3.16
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.28
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-3-yl)-N-[5-(1,1,2,2,2-pentafluoroethyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(oxolan-3-yl)-N-[5-(1,1,2,2,2-pentafluoroethyl)-1,3-thiazol-2-yl]acetamide (CID 166311597) is 2-(oxolan-3-yl)-N-[5-(1,1,2,2,2-pentafluoroethyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(oxolan-3-yl)-N-[5-(1,1,2,2,2-pentafluoroethyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(oxolan-3-yl)-N-[5-(1,1,2,2,2-pentafluoroethyl)-1,3-thiazol-2-yl]acetamide is O=C(CC1CCOC1)Nc1ncc(C(F)(F)C(F)(F)F)s1.
What is the InChIKey of 2-(oxolan-3-yl)-N-[5-(1,1,2,2,2-pentafluoroethyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is TXKJXVFIJBDKAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F5N2O2S/c12-10(13,11(14,15)16)7-4-17-9(21-7)18-8(19)3-6-1-2-20-5-6/h4,6H,1-3,5H2,(H,17,18,19).
What are the key properties of 2-(oxolan-3-yl)-N-[5-(1,1,2,2,2-pentafluoroethyl)-1,3-thiazol-2-yl]acetamide?
2-(oxolan-3-yl)-N-[5-(1,1,2,2,2-pentafluoroethyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 330.28 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-3-yl)-N-[5-(1,1,2,2,2-pentafluoroethyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 166311597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).