2,2,3,3,3-pentafluoro-N-(5-methyl-1,3-thiazol-2-yl)propanamide

C7H5F5N2OS — CID 17386520

IUPAC2,2,3,3,3-pentafluoro-N-(5-methyl-1,3-thiazol-2-yl)propanamide
SMILESCc1cnc(NC(=O)C(F)(F)C(F)(F)F)s1
InChIInChI=1S/C7H5F5N2OS/c1-3-2-13-5(16-3)14-4(15)6(8,9)7(10,11)12/h2H,1H3,(H,13,14,15)
InChIKeyWBFZQHZKXFSYIK-UHFFFAOYSA-N
MW260.19 g/mol
LogP2.59
Rot. Bonds2

About 2,2,3,3,3-pentafluoro-N-(5-methyl-1,3-thiazol-2-yl)propanamide

2,2,3,3,3-pentafluoro-N-(5-methyl-1,3-thiazol-2-yl)propanamide (PubChem CID 17386520) has the molecular formula C7H5F5N2OS and a molecular weight of 260.19 g/mol. Its IUPAC name is 2,2,3,3,3-pentafluoro-N-(5-methyl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name2,2,3,3,3-pentafluoro-N-(5-methyl-1,3-thiazol-2-yl)propanamide
PubChem CID17386520
Molecular FormulaC7H5F5N2OS
Molecular Weight260.19 g/mol
Exact Mass260.00
IUPAC Name2,2,3,3,3-pentafluoro-N-(5-methyl-1,3-thiazol-2-yl)propanamide
SMILESCc1cnc(NC(=O)C(F)(F)C(F)(F)F)s1
InChIInChI=1S/C7H5F5N2OS/c1-3-2-13-5(16-3)14-4(15)6(8,9)7(10,11)12/h2H,1H3,(H,13,14,15)
InChIKeyWBFZQHZKXFSYIK-UHFFFAOYSA-N
XLogP2.59
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.19
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2,2,3,3,3-pentafluoro-N-(5-methyl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of 2,2,3,3,3-pentafluoro-N-(5-methyl-1,3-thiazol-2-yl)propanamide (CID 17386520) is 2,2,3,3,3-pentafluoro-N-(5-methyl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 2,2,3,3,3-pentafluoro-N-(5-methyl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 2,2,3,3,3-pentafluoro-N-(5-methyl-1,3-thiazol-2-yl)propanamide is Cc1cnc(NC(=O)C(F)(F)C(F)(F)F)s1.
What is the InChIKey of 2,2,3,3,3-pentafluoro-N-(5-methyl-1,3-thiazol-2-yl)propanamide?
The InChIKey is WBFZQHZKXFSYIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F5N2OS/c1-3-2-13-5(16-3)14-4(15)6(8,9)7(10,11)12/h2H,1H3,(H,13,14,15).
What are the key properties of 2,2,3,3,3-pentafluoro-N-(5-methyl-1,3-thiazol-2-yl)propanamide?
2,2,3,3,3-pentafluoro-N-(5-methyl-1,3-thiazol-2-yl)propanamide has a molecular weight of 260.19 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,3-pentafluoro-N-(5-methyl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 17386520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).