N'-[(Z)-(5-methylthiophen-2-yl)methylideneamino]-N-propan-2-yloxamide

C11H15N3O2S — CID 9351587

IUPACN'-[(Z)-(5-methylthiophen-2-yl)methylideneamino]-N-propan-2-yloxamide
SMILESCc1ccc(/C=N\NC(=O)C(=O)NC(C)C)s1
InChIInChI=1S/C11H15N3O2S/c1-7(2)13-10(15)11(16)14-12-6-9-5-4-8(3)17-9/h4-7H,1-3H3,(H,13,15)(H,14,16)/b12-6-
InChIKeyYKNUPCJRTYFLOP-SDQBBNPISA-N
MW253.33 g/mol
LogP1.03
Rot. Bonds3

About N'-[(Z)-(5-methylthiophen-2-yl)methylideneamino]-N-propan-2-yloxamide

N'-[(Z)-(5-methylthiophen-2-yl)methylideneamino]-N-propan-2-yloxamide (PubChem CID 9351587) has the molecular formula C11H15N3O2S and a molecular weight of 253.33 g/mol. Its IUPAC name is N'-[(Z)-(5-methylthiophen-2-yl)methylideneamino]-N-propan-2-yloxamide.

Molecular Properties

Compound NameN'-[(Z)-(5-methylthiophen-2-yl)methylideneamino]-N-propan-2-yloxamide
PubChem CID9351587
Molecular FormulaC11H15N3O2S
Molecular Weight253.33 g/mol
Exact Mass253.09
IUPAC NameN'-[(Z)-(5-methylthiophen-2-yl)methylideneamino]-N-propan-2-yloxamide
SMILESCc1ccc(/C=N\NC(=O)C(=O)NC(C)C)s1
InChIInChI=1S/C11H15N3O2S/c1-7(2)13-10(15)11(16)14-12-6-9-5-4-8(3)17-9/h4-7H,1-3H3,(H,13,15)(H,14,16)/b12-6-
InChIKeyYKNUPCJRTYFLOP-SDQBBNPISA-N
XLogP1.03
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N'-[(Z)-(5-methylthiophen-2-yl)methylideneamino]-N-propan-2-yloxamide 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'-[(Z)-(5-methylthiophen-2-yl)methylideneamino]-N-propan-2-yloxamide?
The IUPAC name of N'-[(Z)-(5-methylthiophen-2-yl)methylideneamino]-N-propan-2-yloxamide (CID 9351587) is N'-[(Z)-(5-methylthiophen-2-yl)methylideneamino]-N-propan-2-yloxamide.
What is the SMILES notation for N'-[(Z)-(5-methylthiophen-2-yl)methylideneamino]-N-propan-2-yloxamide?
The canonical SMILES for N'-[(Z)-(5-methylthiophen-2-yl)methylideneamino]-N-propan-2-yloxamide is Cc1ccc(/C=N\NC(=O)C(=O)NC(C)C)s1.
What is the InChIKey of N'-[(Z)-(5-methylthiophen-2-yl)methylideneamino]-N-propan-2-yloxamide?
The InChIKey is YKNUPCJRTYFLOP-SDQBBNPISA-N. The full InChI is InChI=1S/C11H15N3O2S/c1-7(2)13-10(15)11(16)14-12-6-9-5-4-8(3)17-9/h4-7H,1-3H3,(H,13,15)(H,14,16)/b12-6-.
What are the key properties of N'-[(Z)-(5-methylthiophen-2-yl)methylideneamino]-N-propan-2-yloxamide?
N'-[(Z)-(5-methylthiophen-2-yl)methylideneamino]-N-propan-2-yloxamide has a molecular weight of 253.33 g/mol, XLogP of 1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-(5-methylthiophen-2-yl)methylideneamino]-N-propan-2-yloxamide is sourced from PubChem (CID 9351587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).