2-[(Z)-[amino(thiophen-3-yl)methylidene]amino]oxy-N-[(E)-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]acetamide

C17H24N4O2S — CID 166435461

IUPAC2-[(Z)-[amino(thiophen-3-yl)methylidene]amino]oxy-N-[(E)-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]acetamide
SMILESCC12CCC(C/C1=N\NC(=O)CO/N=C(\N)c1ccsc1)C2(C)C
InChIInChI=1S/C17H24N4O2S/c1-16(2)12-4-6-17(16,3)13(8-12)19-20-14(22)9-23-21-15(18)11-5-7-24-10-11/h5,7,10,12H,4,6,8-9H2,1-3H3,(H2,18,21)(H,20,22)/b19-13+
InChIKeyUMMKQKNUHOAWNV-CPNJWEJPSA-N
MW348.47 g/mol
LogP2.70
Rot. Bonds5

About 2-[(Z)-[amino(thiophen-3-yl)methylidene]amino]oxy-N-[(E)-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]acetamide

2-[(Z)-[amino(thiophen-3-yl)methylidene]amino]oxy-N-[(E)-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]acetamide (PubChem CID 166435461) has the molecular formula C17H24N4O2S and a molecular weight of 348.47 g/mol. Its IUPAC name is 2-[(Z)-[amino(thiophen-3-yl)methylidene]amino]oxy-N-[(E)-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]acetamide.

Molecular Properties

Compound Name2-[(Z)-[amino(thiophen-3-yl)methylidene]amino]oxy-N-[(E)-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]acetamide
PubChem CID166435461
Molecular FormulaC17H24N4O2S
Molecular Weight348.47 g/mol
Exact Mass348.16
IUPAC Name2-[(Z)-[amino(thiophen-3-yl)methylidene]amino]oxy-N-[(E)-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]acetamide
SMILESCC12CCC(C/C1=N\NC(=O)CO/N=C(\N)c1ccsc1)C2(C)C
InChIInChI=1S/C17H24N4O2S/c1-16(2)12-4-6-17(16,3)13(8-12)19-20-14(22)9-23-21-15(18)11-5-7-24-10-11/h5,7,10,12H,4,6,8-9H2,1-3H3,(H2,18,21)(H,20,22)/b19-13+
InChIKeyUMMKQKNUHOAWNV-CPNJWEJPSA-N
XLogP2.70
TPSA89.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[(Z)-[amino(thiophen-3-yl)methylidene]amino]oxy-N-[(E)-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]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 2-[(Z)-[amino(thiophen-3-yl)methylidene]amino]oxy-N-[(E)-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]acetamide?
The IUPAC name of 2-[(Z)-[amino(thiophen-3-yl)methylidene]amino]oxy-N-[(E)-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]acetamide (CID 166435461) is 2-[(Z)-[amino(thiophen-3-yl)methylidene]amino]oxy-N-[(E)-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]acetamide.
What is the SMILES notation for 2-[(Z)-[amino(thiophen-3-yl)methylidene]amino]oxy-N-[(E)-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]acetamide?
The canonical SMILES for 2-[(Z)-[amino(thiophen-3-yl)methylidene]amino]oxy-N-[(E)-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]acetamide is CC12CCC(C/C1=N\NC(=O)CO/N=C(\N)c1ccsc1)C2(C)C.
What is the InChIKey of 2-[(Z)-[amino(thiophen-3-yl)methylidene]amino]oxy-N-[(E)-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]acetamide?
The InChIKey is UMMKQKNUHOAWNV-CPNJWEJPSA-N. The full InChI is InChI=1S/C17H24N4O2S/c1-16(2)12-4-6-17(16,3)13(8-12)19-20-14(22)9-23-21-15(18)11-5-7-24-10-11/h5,7,10,12H,4,6,8-9H2,1-3H3,(H2,18,21)(H,20,22)/b19-13+.
What are the key properties of 2-[(Z)-[amino(thiophen-3-yl)methylidene]amino]oxy-N-[(E)-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]acetamide?
2-[(Z)-[amino(thiophen-3-yl)methylidene]amino]oxy-N-[(E)-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]acetamide has a molecular weight of 348.47 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-[amino(thiophen-3-yl)methylidene]amino]oxy-N-[(E)-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]acetamide is sourced from PubChem (CID 166435461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).