2,2,3,3,3-pentafluoro-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propanamide

C7H5F5N2O2S — CID 106383582

IUPAC2,2,3,3,3-pentafluoro-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propanamide
SMILESO=C(NCc1csc(=O)[nH]1)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H5F5N2O2S/c8-6(9,7(10,11)12)4(15)13-1-3-2-17-5(16)14-3/h2H,1H2,(H,13,15)(H,14,16)
InChIKeyNTHMWLSYZNZRNZ-UHFFFAOYSA-N
MW276.19 g/mol
LogP1.25
Rot. Bonds3

About 2,2,3,3,3-pentafluoro-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propanamide

2,2,3,3,3-pentafluoro-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propanamide (PubChem CID 106383582) has the molecular formula C7H5F5N2O2S and a molecular weight of 276.19 g/mol. Its IUPAC name is 2,2,3,3,3-pentafluoro-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propanamide.

Molecular Properties

Compound Name2,2,3,3,3-pentafluoro-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propanamide
PubChem CID106383582
Molecular FormulaC7H5F5N2O2S
Molecular Weight276.19 g/mol
Exact Mass276.00
IUPAC Name2,2,3,3,3-pentafluoro-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propanamide
SMILESO=C(NCc1csc(=O)[nH]1)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H5F5N2O2S/c8-6(9,7(10,11)12)4(15)13-1-3-2-17-5(16)14-3/h2H,1H2,(H,13,15)(H,14,16)
InChIKeyNTHMWLSYZNZRNZ-UHFFFAOYSA-N
XLogP1.25
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.19
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,3-difluoro-2,2-dimethyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propanamide
CID 132381750
4-[(2,2,2-trifluoroethylamino)methyl]-3H-1,3-thiazol-2-one
CID 103113133
N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 103862860
2,2,2-trifluoro-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]acetamide
CID 103862883
4-[(3,3,3-trifluoropropylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380737
2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 106380787
2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 106380838
2-amino-3,3,3-trifluoro-2-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propanamide
CID 106381292
2,2,3,3-tetrafluoro-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propanamide
CID 106383573
2,2-difluoro-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]acetamide
CID 106383581
2-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propanamide
CID 83633696
N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propanamide
CID 103775054

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,3-pentafluoro-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propanamide?
The IUPAC name of 2,2,3,3,3-pentafluoro-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propanamide (CID 106383582) is 2,2,3,3,3-pentafluoro-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propanamide.
What is the SMILES notation for 2,2,3,3,3-pentafluoro-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propanamide?
The canonical SMILES for 2,2,3,3,3-pentafluoro-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propanamide is O=C(NCc1csc(=O)[nH]1)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,3-pentafluoro-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propanamide?
The InChIKey is NTHMWLSYZNZRNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F5N2O2S/c8-6(9,7(10,11)12)4(15)13-1-3-2-17-5(16)14-3/h2H,1H2,(H,13,15)(H,14,16).
What are the key properties of 2,2,3,3,3-pentafluoro-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propanamide?
2,2,3,3,3-pentafluoro-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propanamide has a molecular weight of 276.19 g/mol, XLogP of 1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,3-pentafluoro-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propanamide is sourced from PubChem (CID 106383582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).