N-[3-[[ethylamino-(pentylamino)methylidene]amino]propyl]thiophene-2-carboxamide;hydroiodide

C16H29IN4OS — CID 111130027

IUPACN-[3-[[ethylamino-(pentylamino)methylidene]amino]propyl]thiophene-2-carboxamide;hydroiodide
SMILESCCCCCN/C(=N/CCCNC(=O)c1cccs1)NCC.I
InChIInChI=1S/C16H28N4OS.HI/c1-3-5-6-10-19-16(17-4-2)20-12-8-11-18-15(21)14-9-7-13-22-14;/h7,9,13H,3-6,8,10-12H2,1-2H3,(H,18,21)(H2,17,19,20);1H
InChIKeyQBEPRCDLQXNURQ-UHFFFAOYSA-N
MW452.41 g/mol
LogP3.23
Rot. Bonds10

About N-[3-[[ethylamino-(pentylamino)methylidene]amino]propyl]thiophene-2-carboxamide;hydroiodide

N-[3-[[ethylamino-(pentylamino)methylidene]amino]propyl]thiophene-2-carboxamide;hydroiodide (PubChem CID 111130027) has the molecular formula C16H29IN4OS and a molecular weight of 452.41 g/mol. Its IUPAC name is N-[3-[[ethylamino-(pentylamino)methylidene]amino]propyl]thiophene-2-carboxamide;hydroiodide.

Molecular Properties

Compound NameN-[3-[[ethylamino-(pentylamino)methylidene]amino]propyl]thiophene-2-carboxamide;hydroiodide
PubChem CID111130027
Molecular FormulaC16H29IN4OS
Molecular Weight452.41 g/mol
Exact Mass452.11
IUPAC NameN-[3-[[ethylamino-(pentylamino)methylidene]amino]propyl]thiophene-2-carboxamide;hydroiodide
SMILESCCCCCN/C(=N/CCCNC(=O)c1cccs1)NCC.I
InChIInChI=1S/C16H28N4OS.HI/c1-3-5-6-10-19-16(17-4-2)20-12-8-11-18-15(21)14-9-7-13-22-14;/h7,9,13H,3-6,8,10-12H2,1-2H3,(H,18,21)(H2,17,19,20);1H
InChIKeyQBEPRCDLQXNURQ-UHFFFAOYSA-N
XLogP3.23
TPSA65.52 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.41
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze N-[3-[[ethylamino-(pentylamino)methylidene]amino]propyl]thiophene-2-carboxamide;hydroiodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[[ethylamino-(3,3,3-trifluoropropylamino)methylidene]amino]propyl]thiophene-2-carboxamide
CID 109471821
N-[3-[[[2-(cyclopropanecarbonylamino)ethylamino]-(ethylamino)methylidene]amino]propyl]thiophene-2-carboxamide
CID 111927090
N-[3-[[(butan-2-ylamino)-(ethylamino)methylidene]amino]propyl]thiophene-2-carboxamide
CID 110944914
N-[3-[(N-hexyl-N'-methylcarbamimidoyl)amino]propyl]thiophene-2-carboxamide
CID 111161643
N-[3-[[(cyclopentylamino)-(ethylamino)methylidene]amino]propyl]thiophene-2-carboxamide
CID 110991485
N-[3-[[ethylamino-[3-(4-methylpiperidin-1-yl)propylamino]methylidene]amino]propyl]thiophene-2-carboxamide
CID 111387171
N-[3-[[N-ethyl-N'-[3-(2-oxopyrrolidin-1-yl)propyl]carbamimidoyl]amino]propyl]thiophene-2-carboxamide;hydroiodide
CID 111147679
N-[3-[[[2-(3,4-dimethoxyphenyl)ethylamino]-(ethylamino)methylidene]amino]propyl]thiophene-2-carboxamide
CID 111213869
N-[3-[[N-ethyl-N'-[(4-methylphenyl)methyl]carbamimidoyl]amino]propyl]thiophene-2-carboxamide;hydroiodide
CID 111244196
N-[3-[[N-ethyl-N'-(2-phenylpropyl)carbamimidoyl]amino]propyl]thiophene-2-carboxamide;hydroiodide
CID 111342682
N-[3-[[ethylamino-(4-phenylbutan-2-ylamino)methylidene]amino]propyl]thiophene-2-carboxamide
CID 111172591
N-[3-[[N-ethyl-N'-(2-methyl-2-thiophen-2-ylpropyl)carbamimidoyl]amino]propyl]thiophene-2-carboxamide
CID 111581620

Frequently Asked Questions

What is the IUPAC name of N-[3-[[ethylamino-(pentylamino)methylidene]amino]propyl]thiophene-2-carboxamide;hydroiodide?
The IUPAC name of N-[3-[[ethylamino-(pentylamino)methylidene]amino]propyl]thiophene-2-carboxamide;hydroiodide (CID 111130027) is N-[3-[[ethylamino-(pentylamino)methylidene]amino]propyl]thiophene-2-carboxamide;hydroiodide.
What is the SMILES notation for N-[3-[[ethylamino-(pentylamino)methylidene]amino]propyl]thiophene-2-carboxamide;hydroiodide?
The canonical SMILES for N-[3-[[ethylamino-(pentylamino)methylidene]amino]propyl]thiophene-2-carboxamide;hydroiodide is CCCCCN/C(=N/CCCNC(=O)c1cccs1)NCC.I.
What is the InChIKey of N-[3-[[ethylamino-(pentylamino)methylidene]amino]propyl]thiophene-2-carboxamide;hydroiodide?
The InChIKey is QBEPRCDLQXNURQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4OS.HI/c1-3-5-6-10-19-16(17-4-2)20-12-8-11-18-15(21)14-9-7-13-22-14;/h7,9,13H,3-6,8,10-12H2,1-2H3,(H,18,21)(H2,17,19,20);1H.
What are the key properties of N-[3-[[ethylamino-(pentylamino)methylidene]amino]propyl]thiophene-2-carboxamide;hydroiodide?
N-[3-[[ethylamino-(pentylamino)methylidene]amino]propyl]thiophene-2-carboxamide;hydroiodide has a molecular weight of 452.41 g/mol, XLogP of 3.23, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[ethylamino-(pentylamino)methylidene]amino]propyl]thiophene-2-carboxamide;hydroiodide is sourced from PubChem (CID 111130027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).