3,3,3-trifluoro-N'-hydroxy-2-[(1-thiophen-2-ylethylamino)methyl]propanimidamide

C10H14F3N3OS — CID 103369638

IUPAC3,3,3-trifluoro-N'-hydroxy-2-[(1-thiophen-2-ylethylamino)methyl]propanimidamide
SMILESCC(NCC(/C(N)=N/O)C(F)(F)F)c1cccs1
InChIInChI=1S/C10H14F3N3OS/c1-6(8-3-2-4-18-8)15-5-7(9(14)16-17)10(11,12)13/h2-4,6-7,15,17H,5H2,1H3,(H2,14,16)
InChIKeyKUFKIWBDUBNHQW-UHFFFAOYSA-N
MW281.30 g/mol
LogP2.32
Rot. Bonds5

About 3,3,3-trifluoro-N'-hydroxy-2-[(1-thiophen-2-ylethylamino)methyl]propanimidamide

3,3,3-trifluoro-N'-hydroxy-2-[(1-thiophen-2-ylethylamino)methyl]propanimidamide (PubChem CID 103369638) has the molecular formula C10H14F3N3OS and a molecular weight of 281.30 g/mol. Its IUPAC name is 3,3,3-trifluoro-N'-hydroxy-2-[(1-thiophen-2-ylethylamino)methyl]propanimidamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N'-hydroxy-2-[(1-thiophen-2-ylethylamino)methyl]propanimidamide
PubChem CID103369638
Molecular FormulaC10H14F3N3OS
Molecular Weight281.30 g/mol
Exact Mass281.08
IUPAC Name3,3,3-trifluoro-N'-hydroxy-2-[(1-thiophen-2-ylethylamino)methyl]propanimidamide
SMILESCC(NCC(/C(N)=N/O)C(F)(F)F)c1cccs1
InChIInChI=1S/C10H14F3N3OS/c1-6(8-3-2-4-18-8)15-5-7(9(14)16-17)10(11,12)13/h2-4,6-7,15,17H,5H2,1H3,(H2,14,16)
InChIKeyKUFKIWBDUBNHQW-UHFFFAOYSA-N
XLogP2.32
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.30
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3,3,3-trifluoro-N'-hydroxy-2-[(1-thiophen-2-ylethylamino)methyl]propanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N'-hydroxy-2-[(1-thiophen-2-ylethylamino)methyl]propanimidamide?
The IUPAC name of 3,3,3-trifluoro-N'-hydroxy-2-[(1-thiophen-2-ylethylamino)methyl]propanimidamide (CID 103369638) is 3,3,3-trifluoro-N'-hydroxy-2-[(1-thiophen-2-ylethylamino)methyl]propanimidamide.
What is the SMILES notation for 3,3,3-trifluoro-N'-hydroxy-2-[(1-thiophen-2-ylethylamino)methyl]propanimidamide?
The canonical SMILES for 3,3,3-trifluoro-N'-hydroxy-2-[(1-thiophen-2-ylethylamino)methyl]propanimidamide is CC(NCC(/C(N)=N/O)C(F)(F)F)c1cccs1.
What is the InChIKey of 3,3,3-trifluoro-N'-hydroxy-2-[(1-thiophen-2-ylethylamino)methyl]propanimidamide?
The InChIKey is KUFKIWBDUBNHQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3OS/c1-6(8-3-2-4-18-8)15-5-7(9(14)16-17)10(11,12)13/h2-4,6-7,15,17H,5H2,1H3,(H2,14,16).
What are the key properties of 3,3,3-trifluoro-N'-hydroxy-2-[(1-thiophen-2-ylethylamino)methyl]propanimidamide?
3,3,3-trifluoro-N'-hydroxy-2-[(1-thiophen-2-ylethylamino)methyl]propanimidamide has a molecular weight of 281.30 g/mol, XLogP of 2.32, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N'-hydroxy-2-[(1-thiophen-2-ylethylamino)methyl]propanimidamide is sourced from PubChem (CID 103369638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).