N-[(E)-thiophen-2-ylmethylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

C11H9F3N4OS — CID 6901628

IUPACN-[(E)-thiophen-2-ylmethylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESO=C(Cn1ccc(C(F)(F)F)n1)N/N=C/c1cccs1
InChIInChI=1S/C11H9F3N4OS/c12-11(13,14)9-3-4-18(17-9)7-10(19)16-15-6-8-2-1-5-20-8/h1-6H,7H2,(H,16,19)/b15-6+
InChIKeyOKSPZUGFOJESKY-GIDUJCDVSA-N
MW302.28 g/mol
LogP2.11
Rot. Bonds4

About N-[(E)-thiophen-2-ylmethylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

N-[(E)-thiophen-2-ylmethylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 6901628) has the molecular formula C11H9F3N4OS and a molecular weight of 302.28 g/mol. Its IUPAC name is N-[(E)-thiophen-2-ylmethylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[(E)-thiophen-2-ylmethylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID6901628
Molecular FormulaC11H9F3N4OS
Molecular Weight302.28 g/mol
Exact Mass302.04
IUPAC NameN-[(E)-thiophen-2-ylmethylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESO=C(Cn1ccc(C(F)(F)F)n1)N/N=C/c1cccs1
InChIInChI=1S/C11H9F3N4OS/c12-11(13,14)9-3-4-18(17-9)7-10(19)16-15-6-8-2-1-5-20-8/h1-6H,7H2,(H,16,19)/b15-6+
InChIKeyOKSPZUGFOJESKY-GIDUJCDVSA-N
XLogP2.11
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.28
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[(E)-thiophen-2-ylmethylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide 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 N-[(E)-thiophen-2-ylmethylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-[(E)-thiophen-2-ylmethylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 6901628) is N-[(E)-thiophen-2-ylmethylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-[(E)-thiophen-2-ylmethylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-[(E)-thiophen-2-ylmethylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is O=C(Cn1ccc(C(F)(F)F)n1)N/N=C/c1cccs1.
What is the InChIKey of N-[(E)-thiophen-2-ylmethylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is OKSPZUGFOJESKY-GIDUJCDVSA-N. The full InChI is InChI=1S/C11H9F3N4OS/c12-11(13,14)9-3-4-18(17-9)7-10(19)16-15-6-8-2-1-5-20-8/h1-6H,7H2,(H,16,19)/b15-6+.
What are the key properties of N-[(E)-thiophen-2-ylmethylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-[(E)-thiophen-2-ylmethylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 302.28 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-thiophen-2-ylmethylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 6901628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).