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

C11H16F3N3OS — CID 63639535

IUPAC3-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]thiophene-2-carbohydrazide
SMILESCC(C)N(Cc1ccsc1C(=O)NN)CC(F)(F)F
InChIInChI=1S/C11H16F3N3OS/c1-7(2)17(6-11(12,13)14)5-8-3-4-19-9(8)10(18)16-15/h3-4,7H,5-6,15H2,1-2H3,(H,16,18)
InChIKeyMSKRKULDOHFHKC-UHFFFAOYSA-N
MW295.33 g/mol
LogP2.12
Rot. Bonds5

About 3-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]thiophene-2-carbohydrazide

3-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]thiophene-2-carbohydrazide (PubChem CID 63639535) has the molecular formula C11H16F3N3OS and a molecular weight of 295.33 g/mol. Its IUPAC name is 3-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]thiophene-2-carbohydrazide.

Molecular Properties

Compound Name3-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]thiophene-2-carbohydrazide
PubChem CID63639535
Molecular FormulaC11H16F3N3OS
Molecular Weight295.33 g/mol
Exact Mass295.10
IUPAC Name3-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]thiophene-2-carbohydrazide
SMILESCC(C)N(Cc1ccsc1C(=O)NN)CC(F)(F)F
InChIInChI=1S/C11H16F3N3OS/c1-7(2)17(6-11(12,13)14)5-8-3-4-19-9(8)10(18)16-15/h3-4,7H,5-6,15H2,1-2H3,(H,16,18)
InChIKeyMSKRKULDOHFHKC-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'}

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Frequently Asked Questions

What is the IUPAC name of 3-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]thiophene-2-carbohydrazide?
The IUPAC name of 3-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]thiophene-2-carbohydrazide (CID 63639535) is 3-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]thiophene-2-carbohydrazide.
What is the SMILES notation for 3-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]thiophene-2-carbohydrazide?
The canonical SMILES for 3-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]thiophene-2-carbohydrazide is CC(C)N(Cc1ccsc1C(=O)NN)CC(F)(F)F.
What is the InChIKey of 3-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]thiophene-2-carbohydrazide?
The InChIKey is MSKRKULDOHFHKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3OS/c1-7(2)17(6-11(12,13)14)5-8-3-4-19-9(8)10(18)16-15/h3-4,7H,5-6,15H2,1-2H3,(H,16,18).
What are the key properties of 3-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]thiophene-2-carbohydrazide?
3-[[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 3-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]thiophene-2-carbohydrazide is sourced from PubChem (CID 63639535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).