3,3,3-trifluoro-N-(5-formyl-1,3-thiazol-2-yl)propanamide

C7H5F3N2O2S — CID 88578657

IUPAC3,3,3-trifluoro-N-(5-formyl-1,3-thiazol-2-yl)propanamide
SMILESO=Cc1cnc(NC(=O)CC(F)(F)F)s1
InChIInChI=1S/C7H5F3N2O2S/c8-7(9,10)1-5(14)12-6-11-2-4(3-13)15-6/h2-3H,1H2,(H,11,12,14)
InChIKeyXWWGLXNNOLITMS-UHFFFAOYSA-N
MW238.19 g/mol
LogP1.85
Rot. Bonds3

About 3,3,3-trifluoro-N-(5-formyl-1,3-thiazol-2-yl)propanamide

3,3,3-trifluoro-N-(5-formyl-1,3-thiazol-2-yl)propanamide (PubChem CID 88578657) has the molecular formula C7H5F3N2O2S and a molecular weight of 238.19 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-(5-formyl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-(5-formyl-1,3-thiazol-2-yl)propanamide
PubChem CID88578657
Molecular FormulaC7H5F3N2O2S
Molecular Weight238.19 g/mol
Exact Mass238.00
IUPAC Name3,3,3-trifluoro-N-(5-formyl-1,3-thiazol-2-yl)propanamide
SMILESO=Cc1cnc(NC(=O)CC(F)(F)F)s1
InChIInChI=1S/C7H5F3N2O2S/c8-7(9,10)1-5(14)12-6-11-2-4(3-13)15-6/h2-3H,1H2,(H,11,12,14)
InChIKeyXWWGLXNNOLITMS-UHFFFAOYSA-N
XLogP1.85
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.19
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-(5-formyl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of 3,3,3-trifluoro-N-(5-formyl-1,3-thiazol-2-yl)propanamide (CID 88578657) is 3,3,3-trifluoro-N-(5-formyl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-(5-formyl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-(5-formyl-1,3-thiazol-2-yl)propanamide is O=Cc1cnc(NC(=O)CC(F)(F)F)s1.
What is the InChIKey of 3,3,3-trifluoro-N-(5-formyl-1,3-thiazol-2-yl)propanamide?
The InChIKey is XWWGLXNNOLITMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3N2O2S/c8-7(9,10)1-5(14)12-6-11-2-4(3-13)15-6/h2-3H,1H2,(H,11,12,14).
What are the key properties of 3,3,3-trifluoro-N-(5-formyl-1,3-thiazol-2-yl)propanamide?
3,3,3-trifluoro-N-(5-formyl-1,3-thiazol-2-yl)propanamide has a molecular weight of 238.19 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-(5-formyl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 88578657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).