5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]thiophene-2-carbohydrazide

C11H16F3N3OS — CID 63584844

IUPAC5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]thiophene-2-carbohydrazide
SMILESCC(C)N(Cc1ccc(C(=O)NN)s1)CC(F)(F)F
InChIInChI=1S/C11H16F3N3OS/c1-7(2)17(6-11(12,13)14)5-8-3-4-9(19-8)10(18)16-15/h3-4,7H,5-6,15H2,1-2H3,(H,16,18)
InChIKeyIDNCHXPKANCLBS-UHFFFAOYSA-N
MW295.33 g/mol
LogP2.12
Rot. Bonds5

About 5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]thiophene-2-carbohydrazide

5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]thiophene-2-carbohydrazide (PubChem CID 63584844) has the molecular formula C11H16F3N3OS and a molecular weight of 295.33 g/mol. Its IUPAC name is 5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]thiophene-2-carbohydrazide.

Molecular Properties

Compound Name5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]thiophene-2-carbohydrazide
PubChem CID63584844
Molecular FormulaC11H16F3N3OS
Molecular Weight295.33 g/mol
Exact Mass295.10
IUPAC Name5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]thiophene-2-carbohydrazide
SMILESCC(C)N(Cc1ccc(C(=O)NN)s1)CC(F)(F)F
InChIInChI=1S/C11H16F3N3OS/c1-7(2)17(6-11(12,13)14)5-8-3-4-9(19-8)10(18)16-15/h3-4,7H,5-6,15H2,1-2H3,(H,16,18)
InChIKeyIDNCHXPKANCLBS-UHFFFAOYSA-N
XLogP2.12
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]thiophene-2-carbohydrazide 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 5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]thiophene-2-carbohydrazide?
The IUPAC name of 5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]thiophene-2-carbohydrazide (CID 63584844) is 5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]thiophene-2-carbohydrazide.
What is the SMILES notation for 5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]thiophene-2-carbohydrazide?
The canonical SMILES for 5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]thiophene-2-carbohydrazide is CC(C)N(Cc1ccc(C(=O)NN)s1)CC(F)(F)F.
What is the InChIKey of 5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]thiophene-2-carbohydrazide?
The InChIKey is IDNCHXPKANCLBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3OS/c1-7(2)17(6-11(12,13)14)5-8-3-4-9(19-8)10(18)16-15/h3-4,7H,5-6,15H2,1-2H3,(H,16,18).
What are the key properties of 5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]thiophene-2-carbohydrazide?
5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]thiophene-2-carbohydrazide has a molecular weight of 295.33 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]thiophene-2-carbohydrazide is sourced from PubChem (CID 63584844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).